N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide

C24H30N2O2 — CID 113002830

IUPACN-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H30N2O2/c1-3-18(2)25-23(27)21-14-16-26(17-15-21)24(28)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,18,21-22H,3,14-17H2,1-2H3,(H,25,27)
InChIKeyYCQLUUAQMVJLAT-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.97
Rot. Bonds6

About N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide

N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide (PubChem CID 113002830) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide
PubChem CID113002830
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H30N2O2/c1-3-18(2)25-23(27)21-14-16-26(17-15-21)24(28)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,18,21-22H,3,14-17H2,1-2H3,(H,25,27)
InChIKeyYCQLUUAQMVJLAT-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-diphenylacetyl)-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide
CID 74824215
1-(2,2-diphenylacetyl)-N-methylpiperidine-4-carboxamide
CID 110350749
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
N-methyl-1-(2-phenylbutanoyl)piperidine-4-carboxamide
CID 43064111
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555568
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910
N-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 78845973
2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002906

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide (CID 113002830) is N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide?
The InChIKey is YCQLUUAQMVJLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-3-18(2)25-23(27)21-14-16-26(17-15-21)24(28)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,18,21-22H,3,14-17H2,1-2H3,(H,25,27).
What are the key properties of N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide?
N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 113002830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).