[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone

C18H23ClN2O2 — CID 113003036

IUPAC[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H23ClN2O2/c19-16-6-4-5-15(13-16)18(23)21-11-7-14(8-12-21)17(22)20-9-2-1-3-10-20/h4-6,13-14H,1-3,7-12H2
InChIKeyAPRVKENNYKJAAB-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.20
Rot. Bonds2

About [1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone

[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 113003036) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is [1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID113003036
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H23ClN2O2/c19-16-6-4-5-15(13-16)18(23)21-11-7-14(8-12-21)17(22)20-9-2-1-3-10-20/h4-6,13-14H,1-3,7-12H2
InChIKeyAPRVKENNYKJAAB-UHFFFAOYSA-N
XLogP3.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
4-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673228
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119747879
[4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 119032218
[4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703840
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120625408
2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one
CID 134797149
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;oxalic acid
CID 90483391
[4-(azepan-1-ium-1-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 5185117

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone (CID 113003036) is [1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone is O=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is APRVKENNYKJAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c19-16-6-4-5-15(13-16)18(23)21-11-7-14(8-12-21)17(22)20-9-2-1-3-10-20/h4-6,13-14H,1-3,7-12H2.
What are the key properties of [1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone?
[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 334.85 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 113003036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).