(3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

C27H32N4O — CID 92587333

IUPAC(3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2cccnc2)C1
InChIInChI=1S/C27H32N4O/c1-2-13-30-26(32)27(12-4-17-31(21-27)20-23-5-3-14-29-19-23)18-22-6-8-24(9-7-22)25-10-15-28-16-11-25/h3,5-11,14-16,19H,2,4,12-13,17-18,20-21H2,1H3,(H,30,32)/t27-/m1/s1
InChIKeyOBTCKCZMBZYFTO-HHHXNRCGSA-N
MW428.58 g/mol
LogP4.49
Rot. Bonds8

About (3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92587333) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is (3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92587333
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name(3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2cccnc2)C1
InChIInChI=1S/C27H32N4O/c1-2-13-30-26(32)27(12-4-17-31(21-27)20-23-5-3-14-29-19-23)18-22-6-8-24(9-7-22)25-10-15-28-16-11-25/h3,5-11,14-16,19H,2,4,12-13,17-18,20-21H2,1H3,(H,30,32)/t27-/m1/s1
InChIKeyOBTCKCZMBZYFTO-HHHXNRCGSA-N
XLogP4.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-propan-2-yl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579692
(3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92587317
(3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92587314
(3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609608
(3S)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92580024
1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232298
(3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609626
3-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 56862776
(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 95502115
(3S)-3-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 95403155
1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232340
1-[(3,5-dimethoxyphenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232347

Frequently Asked Questions

What is the IUPAC name of (3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 92587333) is (3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is CCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2cccnc2)C1.
What is the InChIKey of (3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is OBTCKCZMBZYFTO-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H32N4O/c1-2-13-30-26(32)27(12-4-17-31(21-27)20-23-5-3-14-29-19-23)18-22-6-8-24(9-7-22)25-10-15-28-16-11-25/h3,5-11,14-16,19H,2,4,12-13,17-18,20-21H2,1H3,(H,30,32)/t27-/m1/s1.
What are the key properties of (3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
(3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92587333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).