2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride

C15H23ClN2O — CID 119389366

IUPAC2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride
SMILESCCC(C(=O)NC1CCNCC1)c1ccccc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13;/h3-7,13-14,16H,2,8-11H2,1H3,(H,17,18);1H
InChIKeyXSCYFYKATCKQHN-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.47
Rot. Bonds4

About 2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride

2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119389366) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119389366
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride
SMILESCCC(C(=O)NC1CCNCC1)c1ccccc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13;/h3-7,13-14,16H,2,8-11H2,1H3,(H,17,18);1H
InChIKeyXSCYFYKATCKQHN-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120598998
N-cycloheptyl-2-phenylbutanamide
CID 2890971
N-(3-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120553376
N-(4-aminocyclohexyl)-2-phenylbutanamide
CID 43653055
(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
CID 1246145
N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide
CID 119388692
(2R)-2-hydroxy-2-phenyl-N-piperidin-4-ylacetamide
CID 118541603
2-(dimethylamino)-2-phenyl-N-piperidin-4-ylacetamide;dihydrochloride
CID 119387962
N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 119311950
2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 2924317
2-amino-2-phenyl-N-piperidin-4-ylacetamide
CID 110463053
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of 2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride (CID 119389366) is 2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for 2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for 2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride is CCC(C(=O)NC1CCNCC1)c1ccccc1.Cl.
What is the InChIKey of 2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is XSCYFYKATCKQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13;/h3-7,13-14,16H,2,8-11H2,1H3,(H,17,18);1H.
What are the key properties of 2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride?
2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119389366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).