(3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

C25H34N4O — CID 96576575

IUPAC(3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)c1
InChIInChI=1S/C25H34N4O/c1-20-5-2-6-21(15-20)17-27-25(30)23-8-4-12-29(19-23)24-9-13-28(14-10-24)18-22-7-3-11-26-16-22/h2-3,5-7,11,15-16,23-24H,4,8-10,12-14,17-19H2,1H3,(H,27,30)/t23-/m1/s1
InChIKeySRYAYSGXHKBOOZ-HSZRJFAPSA-N
MW406.57 g/mol
LogP3.38
Rot. Bonds6

About (3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

(3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 96576575) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is (3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID96576575
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC Name(3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)c1
InChIInChI=1S/C25H34N4O/c1-20-5-2-6-21(15-20)17-27-25(30)23-8-4-12-29(19-23)24-9-13-28(14-10-24)18-22-7-3-11-26-16-22/h2-3,5-7,11,15-16,23-24H,4,8-10,12-14,17-19H2,1H3,(H,27,30)/t23-/m1/s1
InChIKeySRYAYSGXHKBOOZ-HSZRJFAPSA-N
XLogP3.38
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96573564
(3S)-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95554585
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56860991
(3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96573997
N-(pyridin-2-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873982
(3R)-N-[(1-methylimidazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96581071
N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70762061
(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 95559160
(3S)-N-(2-methoxyethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95218435
N-(3,3-dimethylbutyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56875611
(3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96572438
(3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96573894

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 96576575) is (3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is Cc1cccc(CNC(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)c1.
What is the InChIKey of (3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is SRYAYSGXHKBOOZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H34N4O/c1-20-5-2-6-21(15-20)17-27-25(30)23-8-4-12-29(19-23)24-9-13-28(14-10-24)18-22-7-3-11-26-16-22/h2-3,5-7,11,15-16,23-24H,4,8-10,12-14,17-19H2,1H3,(H,27,30)/t23-/m1/s1.
What are the key properties of (3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 96576575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).