(3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

C22H35N3O — CID 29086668

IUPAC(3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)[C@H]1CCCN(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C22H35N3O/c1-17(2)24-13-10-21(11-14-24)25-12-6-9-20(16-25)22(26)23-15-19-8-5-4-7-18(19)3/h4-5,7-8,17,20-21H,6,9-16H2,1-3H3,(H,23,26)/t20-/m0/s1
InChIKeyQLRXRIJGYXFWAV-FQEVSTJZSA-N
MW357.54 g/mol
LogP3.20
Rot. Bonds5

About (3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

(3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 29086668) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is (3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID29086668
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name(3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)[C@H]1CCCN(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C22H35N3O/c1-17(2)24-13-10-21(11-14-24)25-12-6-9-20(16-25)22(26)23-15-19-8-5-4-7-18(19)3/h4-5,7-8,17,20-21H,6,9-16H2,1-3H3,(H,23,26)/t20-/m0/s1
InChIKeyQLRXRIJGYXFWAV-FQEVSTJZSA-N
XLogP3.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 28731376
(3S)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96571119
N-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 45244247
N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924153
(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 26397010
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 45247722
1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 56869421
N-[(2-methylphenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025019
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53035331
1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 22552894
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53067354
N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025098

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (CID 29086668) is (3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is Cc1ccccc1CNC(=O)[C@H]1CCCN(C2CCN(C(C)C)CC2)C1.
What is the InChIKey of (3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is QLRXRIJGYXFWAV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H35N3O/c1-17(2)24-13-10-21(11-14-24)25-12-6-9-20(16-25)22(26)23-15-19-8-5-4-7-18(19)3/h4-5,7-8,17,20-21H,6,9-16H2,1-3H3,(H,23,26)/t20-/m0/s1.
What are the key properties of (3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
(3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 357.54 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 29086668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).