(3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide

C26H36N4O — CID 96578234

IUPAC(3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1ccnc(CNC(=O)[C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)c1
InChIInChI=1S/C26H36N4O/c1-21-9-13-27-24(18-21)19-28-26(31)23-8-5-14-30(20-23)25-11-16-29(17-12-25)15-10-22-6-3-2-4-7-22/h2-4,6-7,9,13,18,23,25H,5,8,10-12,14-17,19-20H2,1H3,(H,28,31)/t23-/m1/s1
InChIKeyGVJRZZDRGZSQTC-HSZRJFAPSA-N
MW420.60 g/mol
LogP3.43
Rot. Bonds7

About (3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide

(3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 96578234) has the molecular formula C26H36N4O and a molecular weight of 420.60 g/mol. Its IUPAC name is (3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID96578234
Molecular FormulaC26H36N4O
Molecular Weight420.60 g/mol
Exact Mass420.29
IUPAC Name(3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1ccnc(CNC(=O)[C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)c1
InChIInChI=1S/C26H36N4O/c1-21-9-13-27-24(18-21)19-28-26(31)23-8-5-14-30(20-23)25-11-16-29(17-12-25)15-10-22-6-3-2-4-7-22/h2-4,6-7,9,13,18,23,25H,5,8,10-12,14-17,19-20H2,1H3,(H,28,31)/t23-/m1/s1
InChIKeyGVJRZZDRGZSQTC-HSZRJFAPSA-N
XLogP3.43
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-[[1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carbonyl]amino]acetate
CID 45240399
(3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95402897
N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45173463
(3R)-1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96580415
N-(2-amino-2-oxoethyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56868255
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624
N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56876392
N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 45247244
(3S)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96571119
(3R)-N-(1-hydroxy-2-methylpropan-2-yl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95554851
N-(pyridin-2-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873982
N-benzyl-1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45217294

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 96578234) is (3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide is Cc1ccnc(CNC(=O)[C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)c1.
What is the InChIKey of (3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is GVJRZZDRGZSQTC-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H36N4O/c1-21-9-13-27-24(18-21)19-28-26(31)23-8-5-14-30(20-23)25-11-16-29(17-12-25)15-10-22-6-3-2-4-7-22/h2-4,6-7,9,13,18,23,25H,5,8,10-12,14-17,19-20H2,1H3,(H,28,31)/t23-/m1/s1.
What are the key properties of (3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 420.60 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 96578234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).