N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide

C17H23ClN2O2 — CID 113007176

IUPACN-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
SMILESCCCCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O2/c1-2-3-4-16(21)20-11-9-13(10-12-20)17(22)19-15-7-5-14(18)6-8-15/h5-8,13H,2-4,9-12H2,1H3,(H,19,22)
InChIKeyCLCJIMPVBCKIKM-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.71
Rot. Bonds5

About N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide

N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide (PubChem CID 113007176) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
PubChem CID113007176
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
SMILESCCCCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O2/c1-2-3-4-16(21)20-11-9-13(10-12-20)17(22)19-15-7-5-14(18)6-8-15/h5-8,13H,2-4,9-12H2,1H3,(H,19,22)
InChIKeyCLCJIMPVBCKIKM-UHFFFAOYSA-N
XLogP3.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513
N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007400
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300
4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 66651371
1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119314607
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
N-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113006355
1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide
CID 6468150
N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide
CID 55931903
1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119325792

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide (CID 113007176) is N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide is CCCCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide?
The InChIKey is CLCJIMPVBCKIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-2-3-4-16(21)20-11-9-13(10-12-20)17(22)19-15-7-5-14(18)6-8-15/h5-8,13H,2-4,9-12H2,1H3,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide?
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide is sourced from PubChem (CID 113007176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).