N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide

C17H25ClN2O — CID 119315399

IUPACN-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide
SMILESCCC(CC)(NC(=O)C1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O/c1-3-17(4-2,14-5-7-15(18)8-6-14)20-16(21)13-9-11-19-12-10-13/h5-8,13,19H,3-4,9-12H2,1-2H3,(H,20,21)
InChIKeyQCWJQRTZVDTDDY-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.47
Rot. Bonds5

About N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide

N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide (PubChem CID 119315399) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide
PubChem CID119315399
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide
SMILESCCC(CC)(NC(=O)C1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O/c1-3-17(4-2,14-5-7-15(18)8-6-14)20-16(21)13-9-11-19-12-10-13/h5-8,13,19H,3-4,9-12H2,1-2H3,(H,20,21)
InChIKeyQCWJQRTZVDTDDY-UHFFFAOYSA-N
XLogP3.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119769495
(2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide
CID 120630325
(3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide
CID 97310475
N-[3-(4-chlorophenyl)pentan-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405560
(2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide
CID 95331327
N-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119339810
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-[2-[(4-chlorobenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278612
N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride
CID 119318824
3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide
CID 119315395
1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol
CID 558630
N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119302107

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide (CID 119315399) is N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide is CCC(CC)(NC(=O)C1CCNCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide?
The InChIKey is QCWJQRTZVDTDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-17(4-2,14-5-7-15(18)8-6-14)20-16(21)13-9-11-19-12-10-13/h5-8,13,19H,3-4,9-12H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide?
N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide has a molecular weight of 308.85 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 119315399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).