4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide

C18H26ClN3O — CID 110667169

IUPAC4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC(N2CCCCCC2)CC1
InChIInChI=1S/C18H26ClN3O/c19-15-6-5-7-16(14-15)20-18(23)22-12-8-17(9-13-22)21-10-3-1-2-4-11-21/h5-7,14,17H,1-4,8-13H2,(H,20,23)
InChIKeyXSXSICXAJDASCV-UHFFFAOYSA-N
MW335.88 g/mol
LogP4.21
Rot. Bonds2

About 4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide

4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide (PubChem CID 110667169) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
PubChem CID110667169
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC Name4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC(N2CCCCCC2)CC1
InChIInChI=1S/C18H26ClN3O/c19-15-6-5-7-16(14-15)20-18(23)22-12-8-17(9-13-22)21-10-3-1-2-4-11-21/h5-7,14,17H,1-4,8-13H2,(H,20,23)
InChIKeyXSXSICXAJDASCV-UHFFFAOYSA-N
XLogP4.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide
CID 121178780
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547
N-(3-chlorophenyl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide
CID 17445680
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
N-(3-chlorophenyl)-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
CID 121156730
4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
CID 113110558
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide (CID 110667169) is 4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCC(N2CCCCCC2)CC1.
What is the InChIKey of 4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is XSXSICXAJDASCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O/c19-15-6-5-7-16(14-15)20-18(23)22-12-8-17(9-13-22)21-10-3-1-2-4-11-21/h5-7,14,17H,1-4,8-13H2,(H,20,23).
What are the key properties of 4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide?
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide has a molecular weight of 335.88 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 110667169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).