1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one

C22H25ClN2O2 — CID 17138717

IUPAC1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one
SMILESCC1CCCCN1C(=O)c1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H25ClN2O2/c1-16-4-2-3-15-25(16)22(27)18-7-11-20(12-8-18)24-14-13-21(26)17-5-9-19(23)10-6-17/h5-12,16,24H,2-4,13-15H2,1H3
InChIKeyYHEHTYHJCUTGGM-UHFFFAOYSA-N
MW384.91 g/mol
LogP5.04
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one

1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one (PubChem CID 17138717) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one
PubChem CID17138717
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one
SMILESCC1CCCCN1C(=O)c1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H25ClN2O2/c1-16-4-2-3-15-25(16)22(27)18-7-11-20(12-8-18)24-14-13-21(26)17-5-9-19(23)10-6-17/h5-12,16,24H,2-4,13-15H2,1H3
InChIKeyYHEHTYHJCUTGGM-UHFFFAOYSA-N
XLogP5.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.91
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one
CID 7298536
1-(4-methoxyphenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one
CID 5295353
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
4-[[4-(2-methylpiperidine-1-carbonyl)anilino]methyl]benzoic acid
CID 122033520
[6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 23725274
1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62617497
1-(4-tert-butylphenyl)-3-(4-chloroanilino)propan-1-one
CID 5299877
7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride
CID 119712957
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid
CID 99774161
N-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide
CID 60544613

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one (CID 17138717) is 1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one is CC1CCCCN1C(=O)c1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one?
The InChIKey is YHEHTYHJCUTGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-16-4-2-3-15-25(16)22(27)18-7-11-20(12-8-18)24-14-13-21(26)17-5-9-19(23)10-6-17/h5-12,16,24H,2-4,13-15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one?
1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one has a molecular weight of 384.91 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one is sourced from PubChem (CID 17138717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).