azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone

C19H25ClN2O2 — CID 662429

IUPACazepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCC(C(=O)N2CCCCCC2)C1
InChIInChI=1S/C19H25ClN2O2/c20-17-9-5-7-15(13-17)18(23)22-12-6-8-16(14-22)19(24)21-10-3-1-2-4-11-21/h5,7,9,13,16H,1-4,6,8,10-12,14H2
InChIKeyBLCNXKPJQFQGAC-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.59
Rot. Bonds2

About azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone

azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone (PubChem CID 662429) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
PubChem CID662429
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Nameazepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCC(C(=O)N2CCCCCC2)C1
InChIInChI=1S/C19H25ClN2O2/c20-17-9-5-7-15(13-17)18(23)22-12-6-8-16(14-22)19(24)21-10-3-1-2-4-11-21/h5,7,9,13,16H,1-4,6,8,10-12,14H2
InChIKeyBLCNXKPJQFQGAC-UHFFFAOYSA-N
XLogP3.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169
[1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55632984
4-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673228
[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119747879
1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 50804284
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide
CID 93060233
[1-(4-chlorobenzoyl)piperidin-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769153
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 96588891

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone (CID 662429) is azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone is O=C(c1cccc(Cl)c1)N1CCCC(C(=O)N2CCCCCC2)C1.
What is the InChIKey of azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone?
The InChIKey is BLCNXKPJQFQGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-17-9-5-7-15(13-17)18(23)22-12-6-8-16(14-22)19(24)21-10-3-1-2-4-11-21/h5,7,9,13,16H,1-4,6,8,10-12,14H2.
What are the key properties of azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone?
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone has a molecular weight of 348.87 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone is sourced from PubChem (CID 662429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).