3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide

C19H27ClN2O2 — CID 110312179

IUPAC3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide
SMILESCC(C)C(CC(=O)NCC(=O)N1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H27ClN2O2/c1-14(2)17(15-6-8-16(20)9-7-15)12-18(23)21-13-19(24)22-10-4-3-5-11-22/h6-9,14,17H,3-5,10-13H2,1-2H3,(H,21,23)
InChIKeyFSXORKDPHJJRQC-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.60
Rot. Bonds6

About 3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide

3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide (PubChem CID 110312179) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide
PubChem CID110312179
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide
SMILESCC(C)C(CC(=O)NCC(=O)N1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H27ClN2O2/c1-14(2)17(15-6-8-16(20)9-7-15)12-18(23)21-13-19(24)22-10-4-3-5-11-22/h6-9,14,17H,3-5,10-13H2,1-2H3,(H,21,23)
InChIKeyFSXORKDPHJJRQC-UHFFFAOYSA-N
XLogP3.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
CID 104502977
3-amino-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 115738358
3-(4-chlorophenyl)-1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-methylpentan-1-one
CID 110617917
3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 110297555
(3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
CID 906626
2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione
CID 102277832
2-(2-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712323
(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)-1-pyrrolidin-1-ylpentan-1-one
CID 906828
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 112991929
N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide
CID 110353882
3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide
CID 110615058
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide?
The IUPAC name of 3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide (CID 110312179) is 3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide?
The canonical SMILES for 3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide is CC(C)C(CC(=O)NCC(=O)N1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide?
The InChIKey is FSXORKDPHJJRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-14(2)17(15-6-8-16(20)9-7-15)12-18(23)21-13-19(24)22-10-4-3-5-11-22/h6-9,14,17H,3-5,10-13H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide?
3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide has a molecular weight of 350.89 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide is sourced from PubChem (CID 110312179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).