N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride

C24H33ClN2O — CID 119675926

IUPACN-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCC(c1ccccc1)c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C24H32N2O.ClH/c1-19(20-12-15-25-16-13-20)18-24(27)26-17-14-23(21-8-4-2-5-9-21)22-10-6-3-7-11-22;/h2-11,19-20,23,25H,12-18H2,1H3,(H,26,27);1H
InChIKeyYPKMYKHWMVOCCU-UHFFFAOYSA-N
MW400.99 g/mol
LogP4.77
Rot. Bonds8

About N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119675926) has the molecular formula C24H33ClN2O and a molecular weight of 400.99 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119675926
Molecular FormulaC24H33ClN2O
Molecular Weight400.99 g/mol
Exact Mass400.23
IUPAC NameN-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCC(c1ccccc1)c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C24H32N2O.ClH/c1-19(20-12-15-25-16-13-20)18-24(27)26-17-14-23(21-8-4-2-5-9-21)22-10-6-3-7-11-22;/h2-11,19-20,23,25H,12-18H2,1H3,(H,26,27);1H
InChIKeyYPKMYKHWMVOCCU-UHFFFAOYSA-N
XLogP4.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.99
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691430
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770174
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119741133
N-(1,1-diphenylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119716630
3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride
CID 119784406
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
N-[2-(2,6-difluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722580

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119675926) is N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NCCC(c1ccccc1)c1ccccc1)C1CCNCC1.Cl.
What is the InChIKey of N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is YPKMYKHWMVOCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O.ClH/c1-19(20-12-15-25-16-13-20)18-24(27)26-17-14-23(21-8-4-2-5-9-21)22-10-6-3-7-11-22;/h2-11,19-20,23,25H,12-18H2,1H3,(H,26,27);1H.
What are the key properties of N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 400.99 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119675926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).