N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide

C18H25ClN2O3 — CID 113007400

IUPACN-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide
SMILESCCCCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C18H25ClN2O3/c1-3-4-5-17(22)21-10-8-13(9-11-21)18(23)20-15-12-14(19)6-7-16(15)24-2/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,20,23)
InChIKeyZEDNYGAFRLIEII-UHFFFAOYSA-N
MW352.86 g/mol
LogP3.72
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide (PubChem CID 113007400) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide
PubChem CID113007400
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide
SMILESCCCCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C18H25ClN2O3/c1-3-4-5-17(22)21-10-8-13(9-11-21)18(23)20-15-12-14(19)6-7-16(15)24-2/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,20,23)
InChIKeyZEDNYGAFRLIEII-UHFFFAOYSA-N
XLogP3.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 113007690
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide
CID 55653511
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176
4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144380
N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152311
N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921495
N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147444
N-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113006355
1-[5-(dipropylamino)-5-oxopentanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 56546135
N-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45007817
N-(5-chloro-2-methoxyphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910110

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide (CID 113007400) is N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide is CCCCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2OC)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide?
The InChIKey is ZEDNYGAFRLIEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-3-4-5-17(22)21-10-8-13(9-11-21)18(23)20-15-12-14(19)6-7-16(15)24-2/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,20,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide has a molecular weight of 352.86 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide is sourced from PubChem (CID 113007400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).