benzyl 3-(5-carbamoyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperidine-1-carboxylate;benzyl 3-(5-methyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate

C71H75N7O7 — CID 157295183

IUPACbenzyl 3-(5-carbamoyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperidine-1-carboxylate;benzyl 3-(5-methyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate
SMILESCc1ccc(C2CCCN(C(=O)OCc3ccccc3)C2)nc1-c1ccccc1.NC(=O)c1ccc(C2CCCN(C(=O)OCc3ccccc3)C2)nc1-c1ccccc1.O=C(OCc1ccccc1)N1CCCC(c2ccc3c(n2)CCC3)C1
InChIInChI=1S/C25H25N3O3.C25H26N2O2.C21H24N2O2/c26-24(29)21-13-14-22(27-23(21)19-10-5-2-6-11-19)20-12-7-15-28(16-20)25(30)31-17-18-8-3-1-4-9-18;1-19-14-15-23(26-24(19)21-11-6-3-7-12-21)22-13-8-16-27(17-22)25(28)29-18-20-9-4-2-5-10-20;24-21(25-15-16-6-2-1-3-7-16)23-13-5-9-18(14-23)20-12-11-17-8-4-10-19(17)22-20/h1-6,8-11,13-14,20H,7,12,15-17H2,(H2,26,29);2-7,9-12,14-15,22H,8,13,16-18H2,1H3;1-3,6-7,11-12,18H,4-5,8-10,13-15H2
InChIKeyBBGNAHDTYMWANB-UHFFFAOYSA-N
MW1138.42 g/mol
LogP14.02
Rot. Bonds12

About benzyl 3-(5-carbamoyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperidine-1-carboxylate;benzyl 3-(5-methyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate

benzyl 3-(5-carbamoyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperidine-1-carboxylate;benzyl 3-(5-methyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate (PubChem CID 157295183) has the molecular formula C71H75N7O7 and a molecular weight of 1138.42 g/mol. Its IUPAC name is benzyl 3-(5-carbamoyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperidine-1-carboxylate;benzyl 3-(5-methyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(5-carbamoyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperidine-1-carboxylate;benzyl 3-(5-methyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate
PubChem CID157295183
Molecular FormulaC71H75N7O7
Molecular Weight1138.42 g/mol
Exact Mass1137.57
IUPAC Namebenzyl 3-(5-carbamoyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperidine-1-carboxylate;benzyl 3-(5-methyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate
SMILESCc1ccc(C2CCCN(C(=O)OCc3ccccc3)C2)nc1-c1ccccc1.NC(=O)c1ccc(C2CCCN(C(=O)OCc3ccccc3)C2)nc1-c1ccccc1.O=C(OCc1ccccc1)N1CCCC(c2ccc3c(n2)CCC3)C1
InChIInChI=1S/C25H25N3O3.C25H26N2O2.C21H24N2O2/c26-24(29)21-13-14-22(27-23(21)19-10-5-2-6-11-19)20-12-7-15-28(16-20)25(30)31-17-18-8-3-1-4-9-18;1-19-14-15-23(26-24(19)21-11-6-3-7-12-21)22-13-8-16-27(17-22)25(28)29-18-20-9-4-2-5-10-20;24-21(25-15-16-6-2-1-3-7-16)23-13-5-9-18(14-23)20-12-11-17-8-4-10-19(17)22-20/h1-6,8-11,13-14,20H,7,12,15-17H2,(H2,26,29);2-7,9-12,14-15,22H,8,13,16-18H2,1H3;1-3,6-7,11-12,18H,4-5,8-10,13-15H2
InChIKeyBBGNAHDTYMWANB-UHFFFAOYSA-N
XLogP14.02
TPSA170.38 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001138.42
LogP ≤ 514.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze benzyl 3-(5-carbamoyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperidine-1-carboxylate;benzyl 3-(5-methyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-(5-carbamoyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperidine-1-carboxylate;benzyl 3-(5-methyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 3-(5-carbamoyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperidine-1-carboxylate;benzyl 3-(5-methyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate (CID 157295183) is benzyl 3-(5-carbamoyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperidine-1-carboxylate;benzyl 3-(5-methyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(5-carbamoyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperidine-1-carboxylate;benzyl 3-(5-methyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-(5-carbamoyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperidine-1-carboxylate;benzyl 3-(5-methyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate is Cc1ccc(C2CCCN(C(=O)OCc3ccccc3)C2)nc1-c1ccccc1.NC(=O)c1ccc(C2CCCN(C(=O)OCc3ccccc3)C2)nc1-c1ccccc1.O=C(OCc1ccccc1)N1CCCC(c2ccc3c(n2)CCC3)C1.
What is the InChIKey of benzyl 3-(5-carbamoyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperidine-1-carboxylate;benzyl 3-(5-methyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate?
The InChIKey is BBGNAHDTYMWANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3.C25H26N2O2.C21H24N2O2/c26-24(29)21-13-14-22(27-23(21)19-10-5-2-6-11-19)20-12-7-15-28(16-20)25(30)31-17-18-8-3-1-4-9-18;1-19-14-15-23(26-24(19)21-11-6-3-7-12-21)22-13-8-16-27(17-22)25(28)29-18-20-9-4-2-5-10-20;24-21(25-15-16-6-2-1-3-7-16)23-13-5-9-18(14-23)20-12-11-17-8-4-10-19(17)22-20/h1-6,8-11,13-14,20H,7,12,15-17H2,(H2,26,29);2-7,9-12,14-15,22H,8,13,16-18H2,1H3;1-3,6-7,11-12,18H,4-5,8-10,13-15H2.
What are the key properties of benzyl 3-(5-carbamoyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperidine-1-carboxylate;benzyl 3-(5-methyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate?
benzyl 3-(5-carbamoyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperidine-1-carboxylate;benzyl 3-(5-methyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate has a molecular weight of 1138.42 g/mol, XLogP of 14.02, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(5-carbamoyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperidine-1-carboxylate;benzyl 3-(5-methyl-6-phenyl-2-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 157295183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).