3-amino-N-[(4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid;tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;methane;4-phenylpiperidine-4-carbonitrile;hydrochloride

C102H142Cl3N19O15 — CID 157401421

IUPAC3-amino-N-[(4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid;tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;methane;4-phenylpiperidine-4-carbonitrile;hydrochloride
SMILESC.CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2)CC1.CC(C)(C)OC(=O)N1CCC(CN)(c2ccccc2)CC1.CC(C)(C)OC(=O)N1CCC(CNC(=O)c2nccnc2N)(c2ccccc2)CC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cl.ClCCl.N#CC1(c2ccccc2)CCNCC1.Nc1nccnc1C(=O)NCC1(c2ccccc2)CCNCC1.Nc1nccnc1C(=O)O
InChIInChI=1S/C22H29N5O3.C17H21N5O.C17H26N2O2.C17H22N2O2.C12H14N2.C10H18O5.C5H5N3O2.CH2Cl2.CH4.ClH/c1-21(2,3)30-20(29)27-13-9-22(10-14-27,16-7-5-4-6-8-16)15-26-19(28)17-18(23)25-12-11-24-17;18-15-14(20-10-11-21-15)16(23)22-12-17(6-8-19-9-7-17)13-4-2-1-3-5-13;2*1-16(2,3)21-15(20)19-11-9-17(13-18,10-12-19)14-7-5-4-6-8-14;13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;6-4-3(5(9)10)7-1-2-8-4;2-1-3;;/h4-8,11-12H,9-10,13-15H2,1-3H3,(H2,23,25)(H,26,28);1-5,10-11,19H,6-9,12H2,(H2,18,21)(H,22,23);4-8H,9-13,18H2,1-3H3;4-8H,9-12H2,1-3H3;1-5,14H,6-9H2;1-6H3;1-2H,(H2,6,8)(H,9,10);1H2;1H4;1H
InChIKeyAORVTMGGNFSARR-UHFFFAOYSA-N
MW1980.73 g/mol
LogP17.20
Rot. Bonds13

About 3-amino-N-[(4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid;tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;methane;4-phenylpiperidine-4-carbonitrile;hydrochloride

3-amino-N-[(4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid;tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;methane;4-phenylpiperidine-4-carbonitrile;hydrochloride (PubChem CID 157401421) has the molecular formula C102H142Cl3N19O15 and a molecular weight of 1980.73 g/mol. Its IUPAC name is 3-amino-N-[(4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid;tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;methane;4-phenylpiperidine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid;tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;methane;4-phenylpiperidine-4-carbonitrile;hydrochloride
PubChem CID157401421
Molecular FormulaC102H142Cl3N19O15
Molecular Weight1980.73 g/mol
Exact Mass1978.00
IUPAC Name3-amino-N-[(4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid;tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;methane;4-phenylpiperidine-4-carbonitrile;hydrochloride
SMILESC.CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2)CC1.CC(C)(C)OC(=O)N1CCC(CN)(c2ccccc2)CC1.CC(C)(C)OC(=O)N1CCC(CNC(=O)c2nccnc2N)(c2ccccc2)CC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cl.ClCCl.N#CC1(c2ccccc2)CCNCC1.Nc1nccnc1C(=O)NCC1(c2ccccc2)CCNCC1.Nc1nccnc1C(=O)O
InChIInChI=1S/C22H29N5O3.C17H21N5O.C17H26N2O2.C17H22N2O2.C12H14N2.C10H18O5.C5H5N3O2.CH2Cl2.CH4.ClH/c1-21(2,3)30-20(29)27-13-9-22(10-14-27,16-7-5-4-6-8-16)15-26-19(28)17-18(23)25-12-11-24-17;18-15-14(20-10-11-21-15)16(23)22-12-17(6-8-19-9-7-17)13-4-2-1-3-5-13;2*1-16(2,3)21-15(20)19-11-9-17(13-18,10-12-19)14-7-5-4-6-8-14;13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;6-4-3(5(9)10)7-1-2-8-4;2-1-3;;/h4-8,11-12H,9-10,13-15H2,1-3H3,(H2,23,25)(H,26,28);1-5,10-11,19H,6-9,12H2,(H2,18,21)(H,22,23);4-8H,9-13,18H2,1-3H3;4-8H,9-12H2,1-3H3;1-5,14H,6-9H2;1-6H3;1-2H,(H2,6,8)(H,9,10);1H2;1H4;1H
InChIKeyAORVTMGGNFSARR-UHFFFAOYSA-N
XLogP17.20
TPSA499.01 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds13
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001980.73
LogP ≤ 517.20
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-amino-N-[(4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid;tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;methane;4-phenylpiperidine-4-carbonitrile;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid;tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;methane;4-phenylpiperidine-4-carbonitrile;hydrochloride?
The IUPAC name of 3-amino-N-[(4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid;tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;methane;4-phenylpiperidine-4-carbonitrile;hydrochloride (CID 157401421) is 3-amino-N-[(4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid;tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;methane;4-phenylpiperidine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 3-amino-N-[(4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid;tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;methane;4-phenylpiperidine-4-carbonitrile;hydrochloride?
The canonical SMILES for 3-amino-N-[(4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid;tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;methane;4-phenylpiperidine-4-carbonitrile;hydrochloride is C.CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2)CC1.CC(C)(C)OC(=O)N1CCC(CN)(c2ccccc2)CC1.CC(C)(C)OC(=O)N1CCC(CNC(=O)c2nccnc2N)(c2ccccc2)CC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cl.ClCCl.N#CC1(c2ccccc2)CCNCC1.Nc1nccnc1C(=O)NCC1(c2ccccc2)CCNCC1.Nc1nccnc1C(=O)O.
What is the InChIKey of 3-amino-N-[(4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid;tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;methane;4-phenylpiperidine-4-carbonitrile;hydrochloride?
The InChIKey is AORVTMGGNFSARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3.C17H21N5O.C17H26N2O2.C17H22N2O2.C12H14N2.C10H18O5.C5H5N3O2.CH2Cl2.CH4.ClH/c1-21(2,3)30-20(29)27-13-9-22(10-14-27,16-7-5-4-6-8-16)15-26-19(28)17-18(23)25-12-11-24-17;18-15-14(20-10-11-21-15)16(23)22-12-17(6-8-19-9-7-17)13-4-2-1-3-5-13;2*1-16(2,3)21-15(20)19-11-9-17(13-18,10-12-19)14-7-5-4-6-8-14;13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;6-4-3(5(9)10)7-1-2-8-4;2-1-3;;/h4-8,11-12H,9-10,13-15H2,1-3H3,(H2,23,25)(H,26,28);1-5,10-11,19H,6-9,12H2,(H2,18,21)(H,22,23);4-8H,9-13,18H2,1-3H3;4-8H,9-12H2,1-3H3;1-5,14H,6-9H2;1-6H3;1-2H,(H2,6,8)(H,9,10);1H2;1H4;1H.
What are the key properties of 3-amino-N-[(4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid;tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;methane;4-phenylpiperidine-4-carbonitrile;hydrochloride?
3-amino-N-[(4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid;tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;methane;4-phenylpiperidine-4-carbonitrile;hydrochloride has a molecular weight of 1980.73 g/mol, XLogP of 17.20, 13 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid;tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dichloromethane;methane;4-phenylpiperidine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 157401421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).