N-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide

C17H23ClN2O2 — CID 110676816

IUPACN-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCCC(C)C1)c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O2/c1-12-5-4-8-20(11-12)17(22)10-16(19-13(2)21)14-6-3-7-15(18)9-14/h3,6-7,9,12,16H,4-5,8,10-11H2,1-2H3,(H,19,21)
InChIKeyRCRRVAUMVCCYBL-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.17
Rot. Bonds4

About N-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide

N-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide (PubChem CID 110676816) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
PubChem CID110676816
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCCC(C)C1)c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O2/c1-12-5-4-8-20(11-12)17(22)10-16(19-13(2)21)14-6-3-7-15(18)9-14/h3,6-7,9,12,16H,4-5,8,10-11H2,1-2H3,(H,19,21)
InChIKeyRCRRVAUMVCCYBL-UHFFFAOYSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
CID 119491794
N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide
CID 36940029
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
N-[(1R)-3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-oxo-1-phenylpropyl]acetamide
CID 11938692
(3R)-1-[(3S)-3-acetamido-3-phenylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124682101
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119411136
N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide
CID 86045214
[(1R)-1-(3-bromophenyl)-3-[(4R)-4-methylazepan-1-yl]-3-oxopropyl]urea
CID 95021250
1-[3-acetamido-3-(4-chlorophenyl)propanoyl]-N-butylpiperidine-3-carboxamide
CID 49407372
N-[3-[3-(aminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 119485084
3-[2-(3-chlorophenyl)ethylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032811
(3S)-1-[3-acetamido-3-(4-bromophenyl)propanoyl]piperidine-3-carboxylic acid
CID 120514247

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide (CID 110676816) is N-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)N1CCCC(C)C1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is RCRRVAUMVCCYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12-5-4-8-20(11-12)17(22)10-16(19-13(2)21)14-6-3-7-15(18)9-14/h3,6-7,9,12,16H,4-5,8,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
N-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 322.84 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 110676816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).