1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone

C17H21ClN2O2 — CID 146150629

IUPAC1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CC(c3cccc(Cl)c3)C2)CC1
InChIInChI=1S/C17H21ClN2O2/c1-12(21)19-7-5-13(6-8-19)17(22)20-10-15(11-20)14-3-2-4-16(18)9-14/h2-4,9,13,15H,5-8,10-11H2,1H3
InChIKeyANAFRJHPPVUKFO-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.52
Rot. Bonds2

About 1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 146150629) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID146150629
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CC(c3cccc(Cl)c3)C2)CC1
InChIInChI=1S/C17H21ClN2O2/c1-12(21)19-7-5-13(6-8-19)17(22)20-10-15(11-20)14-3-2-4-16(18)9-14/h2-4,9,13,15H,5-8,10-11H2,1H3
InChIKeyANAFRJHPPVUKFO-UHFFFAOYSA-N
XLogP2.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[3-(4-chlorophenyl)azepane-1-carbonyl]piperidin-1-yl]ethanone
CID 121146440
1-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 20754491
[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97138893
[3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone
CID 170503246
1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone
CID 90513796
4-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-methyl-3-(4-methylphenyl)-4-oxobutanoic acid
CID 143161495
4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 129352590
1-[2-[(3S)-3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]azepan-2-one
CID 97270431
(3R,4S)-1-(1-acetylpiperidine-4-carbonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 133114687
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-(3-chlorophenyl)pyrrolidin-2-one
CID 134035368

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone (CID 146150629) is 1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CC(c3cccc(Cl)c3)C2)CC1.
What is the InChIKey of 1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is ANAFRJHPPVUKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-12(21)19-7-5-13(6-8-19)17(22)20-10-15(11-20)14-3-2-4-16(18)9-14/h2-4,9,13,15H,5-8,10-11H2,1H3.
What are the key properties of 1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 320.82 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 146150629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).