(3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

C17H22N2O2 — CID 26326584

IUPAC(3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCC(=O)N(C3CC3)C2)cc1
InChIInChI=1S/C17H22N2O2/c1-12-2-4-13(5-3-12)10-18-17(21)14-6-9-16(20)19(11-14)15-7-8-15/h2-5,14-15H,6-11H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyQJYRATOIYWFBOS-AWEZNQCLSA-N
MW286.38 g/mol
LogP2.01
Rot. Bonds4

About (3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

(3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 26326584) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID26326584
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCC(=O)N(C3CC3)C2)cc1
InChIInChI=1S/C17H22N2O2/c1-12-2-4-13(5-3-12)10-18-17(21)14-6-9-16(20)19(11-14)15-7-8-15/h2-5,14-15H,6-11H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyQJYRATOIYWFBOS-AWEZNQCLSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24816632
(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25480878
1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45234331
1-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195394
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide
CID 45243115
1-cyclopentyl-N-[(2,3-difluoro-4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817350
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-6-oxopiperidine-3-carboxamide
CID 26323810
N-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-6-oxopiperidine-3-carboxamide
CID 45229982
1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110687248
(3R)-1-cyclopropyl-N-(2,2-diphenylpropyl)-6-oxopiperidine-3-carboxamide
CID 97145622
(3S)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide
CID 42516476
(3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide
CID 42154087

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 26326584) is (3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(C3CC3)C2)cc1.
What is the InChIKey of (3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is QJYRATOIYWFBOS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-2-4-13(5-3-12)10-18-17(21)14-6-9-16(20)19(11-14)15-7-8-15/h2-5,14-15H,6-11H2,1H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
(3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 26326584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).