(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

C21H30N2O2 — CID 25480878

IUPAC(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)c1
InChIInChI=1S/C21H30N2O2/c1-16-7-6-8-17(13-16)14-22-21(25)18-11-12-20(24)23(15-18)19-9-4-2-3-5-10-19/h6-8,13,18-19H,2-5,9-12,14-15H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyRJWNMFNVBHRZDC-SFHVURJKSA-N
MW342.48 g/mol
LogP3.57
Rot. Bonds4

About (3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 25480878) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is (3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID25480878
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)c1
InChIInChI=1S/C21H30N2O2/c1-16-7-6-8-17(13-16)14-22-21(25)18-11-12-20(24)23(15-18)19-9-4-2-3-5-10-19/h6-8,13,18-19H,2-5,9-12,14-15H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyRJWNMFNVBHRZDC-SFHVURJKSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26326584
1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24816632
N-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-6-oxopiperidine-3-carboxamide
CID 45229982
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-6-oxopiperidine-3-carboxamide
CID 26323810
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide
CID 72860260
(3R)-1-cycloheptyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42097141
1-cyclohexyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4251315
1-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195394
(3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42241808
(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 32734074
1-cyclopentyl-N-[(2,3-difluoro-4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817350

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 25480878) is (3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is Cc1cccc(CNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)c1.
What is the InChIKey of (3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is RJWNMFNVBHRZDC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16-7-6-8-17(13-16)14-22-21(25)18-11-12-20(24)23(15-18)19-9-4-2-3-5-10-19/h6-8,13,18-19H,2-5,9-12,14-15H2,1H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 25480878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).