(2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide

C19H28N2O — CID 94778907

IUPAC(2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
SMILESCc1ccc([C@@H](C(=O)NC2CCCC2)N2CCCCC2)cc1
InChIInChI=1S/C19H28N2O/c1-15-9-11-16(12-10-15)18(21-13-5-2-6-14-21)19(22)20-17-7-3-4-8-17/h9-12,17-18H,2-8,13-14H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyXNDFYCSPAVCKML-SFHVURJKSA-N
MW300.45 g/mol
LogP3.58
Rot. Bonds4

About (2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide

(2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide (PubChem CID 94778907) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
PubChem CID94778907
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
SMILESCc1ccc([C@@H](C(=O)NC2CCCC2)N2CCCCC2)cc1
InChIInChI=1S/C19H28N2O/c1-15-9-11-16(12-10-15)18(21-13-5-2-6-14-21)19(22)20-17-7-3-4-8-17/h9-12,17-18H,2-8,13-14H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyXNDFYCSPAVCKML-SFHVURJKSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 94778949
2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide
CID 4177946
N-cyclohexyl-2-(4-methoxyphenyl)-2-piperidin-1-ylacetamide
CID 4586625
(2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 94778934
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-yl)acetamide
CID 94778986
(2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide
CID 92653700
2-(4-chlorophenyl)-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 3904428
N-cyclohexyl-2-(4-methylphenyl)-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]acetamide
CID 11198972
N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 4586622
(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 94797745
N-cyclopropyl-2-[3-(methylamino)piperidin-1-yl]-2-phenylacetamide
CID 119918563
(2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide
CID 94778967

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of (2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide (CID 94778907) is (2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide is Cc1ccc([C@@H](C(=O)NC2CCCC2)N2CCCCC2)cc1.
What is the InChIKey of (2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide?
The InChIKey is XNDFYCSPAVCKML-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15-9-11-16(12-10-15)18(21-13-5-2-6-14-21)19(22)20-17-7-3-4-8-17/h9-12,17-18H,2-8,13-14H2,1H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide?
(2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide has a molecular weight of 300.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 94778907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).