bis(benzyl 3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate);benzyl 3-hydroxy-3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;4-hydroxy-N-[[3-hydroxy-1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[3-hydroxy-1-(3-phenylpropyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide

C164H197N19O27 — CID 160546681

IUPACbis(benzyl 3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate);benzyl 3-hydroxy-3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;4-hydroxy-N-[[3-hydroxy-1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[3-hydroxy-1-(3-phenylpropyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide
SMILESO=C(NCC1(O)CCCN(C(=O)OCc2ccccc2)C1)c1ccc(O)cc1.O=C(NCC1(O)CCCN(CCCc2ccccc2)C1)c1ccc(O)cc1.O=C(NCC1(O)CCCN(CCc2ccccc2)C1)c1ccc(O)cc1.O=C(NCC1CCCN(C(=O)OCc2ccccc2)C1)c1cc[nH]c1.O=C(NCC1CCCN(C(=O)OCc2ccccc2)C1)c1ccc(O)cc1.O=C(NCC1CCCN(C(=O)OCc2ccccc2)C1)c1ccc(O)cc1.O=C(NCC1CCCN(C(=O)OCc2ccccc2)C1)c1ccn[nH]1.O=C(NCC1CCCN(CCc2ccccc2)C1)c1ccc(O)cc1
InChIInChI=1S/C22H28N2O3.C21H24N2O5.2C21H24N2O4.C21H26N2O3.C21H26N2O2.C19H23N3O3.C18H22N4O3/c25-20-11-9-19(10-12-20)21(26)23-16-22(27)13-5-15-24(17-22)14-4-8-18-6-2-1-3-7-18;24-18-9-7-17(8-10-18)19(25)22-14-21(27)11-4-12-23(15-21)20(26)28-13-16-5-2-1-3-6-16;2*24-19-10-8-18(9-11-19)20(25)22-13-17-7-4-12-23(14-17)21(26)27-15-16-5-2-1-3-6-16;24-19-9-7-18(8-10-19)20(25)22-15-21(26)12-4-13-23(16-21)14-11-17-5-2-1-3-6-17;24-20-10-8-19(9-11-20)21(25)22-15-18-7-4-13-23(16-18)14-12-17-5-2-1-3-6-17;23-18(17-8-9-20-12-17)21-11-16-7-4-10-22(13-16)19(24)25-14-15-5-2-1-3-6-15;23-17(16-8-9-20-21-16)19-11-15-7-4-10-22(12-15)18(24)25-13-14-5-2-1-3-6-14/h1-3,6-7,9-12,25,27H,4-5,8,13-17H2,(H,23,26);1-3,5-10,24,27H,4,11-15H2,(H,22,25);2*1-3,5-6,8-11,17,24H,4,7,12-15H2,(H,22,25);1-3,5-10,24,26H,4,11-16H2,(H,22,25);1-3,5-6,8-11,18,24H,4,7,12-16H2,(H,22,25);1-3,5-6,8-9,12,16,20H,4,7,10-11,13-14H2,(H,21,23);1-3,5-6,8-9,15H,4,7,10-13H2,(H,19,23)(H,20,21)
InChIKeyQXNFXESEADTPGJ-UHFFFAOYSA-N
MW2866.49 g/mol
LogP21.46
Rot. Bonds44

About bis(benzyl 3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate);benzyl 3-hydroxy-3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;4-hydroxy-N-[[3-hydroxy-1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[3-hydroxy-1-(3-phenylpropyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide

bis(benzyl 3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate);benzyl 3-hydroxy-3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;4-hydroxy-N-[[3-hydroxy-1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[3-hydroxy-1-(3-phenylpropyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide (PubChem CID 160546681) has the molecular formula C164H197N19O27 and a molecular weight of 2866.49 g/mol. Its IUPAC name is bis(benzyl 3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate);benzyl 3-hydroxy-3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;4-hydroxy-N-[[3-hydroxy-1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[3-hydroxy-1-(3-phenylpropyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Namebis(benzyl 3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate);benzyl 3-hydroxy-3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;4-hydroxy-N-[[3-hydroxy-1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[3-hydroxy-1-(3-phenylpropyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide
PubChem CID160546681
Molecular FormulaC164H197N19O27
Molecular Weight2866.49 g/mol
Exact Mass2864.46
IUPAC Namebis(benzyl 3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate);benzyl 3-hydroxy-3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;4-hydroxy-N-[[3-hydroxy-1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[3-hydroxy-1-(3-phenylpropyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide
SMILESO=C(NCC1(O)CCCN(C(=O)OCc2ccccc2)C1)c1ccc(O)cc1.O=C(NCC1(O)CCCN(CCCc2ccccc2)C1)c1ccc(O)cc1.O=C(NCC1(O)CCCN(CCc2ccccc2)C1)c1ccc(O)cc1.O=C(NCC1CCCN(C(=O)OCc2ccccc2)C1)c1cc[nH]c1.O=C(NCC1CCCN(C(=O)OCc2ccccc2)C1)c1ccc(O)cc1.O=C(NCC1CCCN(C(=O)OCc2ccccc2)C1)c1ccc(O)cc1.O=C(NCC1CCCN(C(=O)OCc2ccccc2)C1)c1ccn[nH]1.O=C(NCC1CCCN(CCc2ccccc2)C1)c1ccc(O)cc1
InChIInChI=1S/C22H28N2O3.C21H24N2O5.2C21H24N2O4.C21H26N2O3.C21H26N2O2.C19H23N3O3.C18H22N4O3/c25-20-11-9-19(10-12-20)21(26)23-16-22(27)13-5-15-24(17-22)14-4-8-18-6-2-1-3-7-18;24-18-9-7-17(8-10-18)19(25)22-14-21(27)11-4-12-23(15-21)20(26)28-13-16-5-2-1-3-6-16;2*24-19-10-8-18(9-11-19)20(25)22-13-17-7-4-12-23(14-17)21(26)27-15-16-5-2-1-3-6-16;24-19-9-7-18(8-10-19)20(25)22-15-21(26)12-4-13-23(16-21)14-11-17-5-2-1-3-6-17;24-20-10-8-19(9-11-20)21(25)22-15-18-7-4-13-23(16-18)14-12-17-5-2-1-3-6-17;23-18(17-8-9-20-12-17)21-11-16-7-4-10-22(13-16)19(24)25-14-15-5-2-1-3-6-15;23-17(16-8-9-20-21-16)19-11-15-7-4-10-22(12-15)18(24)25-13-14-5-2-1-3-6-14/h1-3,6-7,9-12,25,27H,4-5,8,13-17H2,(H,23,26);1-3,5-10,24,27H,4,11-15H2,(H,22,25);2*1-3,5-6,8-11,17,24H,4,7,12-15H2,(H,22,25);1-3,5-10,24,26H,4,11-16H2,(H,22,25);1-3,5-6,8-11,18,24H,4,7,12-16H2,(H,22,25);1-3,5-6,8-9,12,16,20H,4,7,10-11,13-14H2,(H,21,23);1-3,5-6,8-9,15H,4,7,10-13H2,(H,19,23)(H,20,21)
InChIKeyQXNFXESEADTPGJ-UHFFFAOYSA-N
XLogP21.46
TPSA616.76 Ų
H-Bond Donors19
H-Bond Acceptors31
Rotatable Bonds44
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002866.49
LogP ≤ 521.46
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze bis(benzyl 3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate);benzyl 3-hydroxy-3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;4-hydroxy-N-[[3-hydroxy-1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[3-hydroxy-1-(3-phenylpropyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(benzyl 3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate);benzyl 3-hydroxy-3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;4-hydroxy-N-[[3-hydroxy-1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[3-hydroxy-1-(3-phenylpropyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of bis(benzyl 3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate);benzyl 3-hydroxy-3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;4-hydroxy-N-[[3-hydroxy-1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[3-hydroxy-1-(3-phenylpropyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide (CID 160546681) is bis(benzyl 3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate);benzyl 3-hydroxy-3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;4-hydroxy-N-[[3-hydroxy-1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[3-hydroxy-1-(3-phenylpropyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for bis(benzyl 3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate);benzyl 3-hydroxy-3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;4-hydroxy-N-[[3-hydroxy-1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[3-hydroxy-1-(3-phenylpropyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for bis(benzyl 3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate);benzyl 3-hydroxy-3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;4-hydroxy-N-[[3-hydroxy-1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[3-hydroxy-1-(3-phenylpropyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide is O=C(NCC1(O)CCCN(C(=O)OCc2ccccc2)C1)c1ccc(O)cc1.O=C(NCC1(O)CCCN(CCCc2ccccc2)C1)c1ccc(O)cc1.O=C(NCC1(O)CCCN(CCc2ccccc2)C1)c1ccc(O)cc1.O=C(NCC1CCCN(C(=O)OCc2ccccc2)C1)c1cc[nH]c1.O=C(NCC1CCCN(C(=O)OCc2ccccc2)C1)c1ccc(O)cc1.O=C(NCC1CCCN(C(=O)OCc2ccccc2)C1)c1ccc(O)cc1.O=C(NCC1CCCN(C(=O)OCc2ccccc2)C1)c1ccn[nH]1.O=C(NCC1CCCN(CCc2ccccc2)C1)c1ccc(O)cc1.
What is the InChIKey of bis(benzyl 3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate);benzyl 3-hydroxy-3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;4-hydroxy-N-[[3-hydroxy-1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[3-hydroxy-1-(3-phenylpropyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is QXNFXESEADTPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3.C21H24N2O5.2C21H24N2O4.C21H26N2O3.C21H26N2O2.C19H23N3O3.C18H22N4O3/c25-20-11-9-19(10-12-20)21(26)23-16-22(27)13-5-15-24(17-22)14-4-8-18-6-2-1-3-7-18;24-18-9-7-17(8-10-18)19(25)22-14-21(27)11-4-12-23(15-21)20(26)28-13-16-5-2-1-3-6-16;2*24-19-10-8-18(9-11-19)20(25)22-13-17-7-4-12-23(14-17)21(26)27-15-16-5-2-1-3-6-16;24-19-9-7-18(8-10-19)20(25)22-15-21(26)12-4-13-23(16-21)14-11-17-5-2-1-3-6-17;24-20-10-8-19(9-11-20)21(25)22-15-18-7-4-13-23(16-18)14-12-17-5-2-1-3-6-17;23-18(17-8-9-20-12-17)21-11-16-7-4-10-22(13-16)19(24)25-14-15-5-2-1-3-6-15;23-17(16-8-9-20-21-16)19-11-15-7-4-10-22(12-15)18(24)25-13-14-5-2-1-3-6-14/h1-3,6-7,9-12,25,27H,4-5,8,13-17H2,(H,23,26);1-3,5-10,24,27H,4,11-15H2,(H,22,25);2*1-3,5-6,8-11,17,24H,4,7,12-15H2,(H,22,25);1-3,5-10,24,26H,4,11-16H2,(H,22,25);1-3,5-6,8-11,18,24H,4,7,12-16H2,(H,22,25);1-3,5-6,8-9,12,16,20H,4,7,10-11,13-14H2,(H,21,23);1-3,5-6,8-9,15H,4,7,10-13H2,(H,19,23)(H,20,21).
What are the key properties of bis(benzyl 3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate);benzyl 3-hydroxy-3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;4-hydroxy-N-[[3-hydroxy-1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[3-hydroxy-1-(3-phenylpropyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide?
bis(benzyl 3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate);benzyl 3-hydroxy-3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;4-hydroxy-N-[[3-hydroxy-1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[3-hydroxy-1-(3-phenylpropyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 2866.49 g/mol, XLogP of 21.46, 44 rotatable bonds, 19 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzyl 3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate);benzyl 3-hydroxy-3-[[(4-hydroxybenzoyl)amino]methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 3-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate;4-hydroxy-N-[[3-hydroxy-1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[3-hydroxy-1-(3-phenylpropyl)piperidin-3-yl]methyl]benzamide;4-hydroxy-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 160546681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).