N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride

C16H25ClN2O — CID 120598998

IUPACN-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
SMILESCCC(C(=O)NC1CCNC(C)C1)c1ccccc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-3-15(13-7-5-4-6-8-13)16(19)18-14-9-10-17-12(2)11-14;/h4-8,12,14-15,17H,3,9-11H2,1-2H3,(H,18,19);1H
InChIKeySTQVSRBQMUFOHY-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.86
Rot. Bonds4

About N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride

N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride (PubChem CID 120598998) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
PubChem CID120598998
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
SMILESCCC(C(=O)NC1CCNC(C)C1)c1ccccc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-3-15(13-7-5-4-6-8-13)16(19)18-14-9-10-17-12(2)11-14;/h4-8,12,14-15,17H,3,9-11H2,1-2H3,(H,18,19);1H
InChIKeySTQVSRBQMUFOHY-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389366
N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide
CID 120598997
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
N-cycloheptyl-2-phenylbutanamide
CID 2890971
N-(3-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120553376
N-(2-methylpiperidin-4-yl)-2-phenoxypropanamide;hydrochloride
CID 120598370
N-(4-aminocyclohexyl)-2-phenylbutanamide
CID 43653055
(2R)-2-amino-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 131207144
2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide
CID 120599851
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide
CID 120598618
(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
CID 1246145
2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995546

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride (CID 120598998) is N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride is CCC(C(=O)NC1CCNC(C)C1)c1ccccc1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride?
The InChIKey is STQVSRBQMUFOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-3-15(13-7-5-4-6-8-13)16(19)18-14-9-10-17-12(2)11-14;/h4-8,12,14-15,17H,3,9-11H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride is sourced from PubChem (CID 120598998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).