N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide

C25H32N2O2 — CID 108555568

IUPACN-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H32N2O2/c1-3-19(4-2)24(28)26-22-15-17-27(18-16-22)25(29)23(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22-23H,3-4,15-18H2,1-2H3,(H,26,28)
InChIKeyIWNCFMZAKRJYEY-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.36
Rot. Bonds7

About N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide

N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide (PubChem CID 108555568) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide
PubChem CID108555568
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H32N2O2/c1-3-19(4-2)24(28)26-22-15-17-27(18-16-22)25(29)23(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22-23H,3-4,15-18H2,1-2H3,(H,26,28)
InChIKeyIWNCFMZAKRJYEY-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
butyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate
CID 108563754
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
CID 46464176
N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide
CID 113002830
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108556851
2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 120791093
1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475
1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 110820100
N-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]propanamide
CID 61163953
ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 108559440
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide?
The IUPAC name of N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide (CID 108555568) is N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide?
The canonical SMILES for N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide is CCC(CC)C(=O)NC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide?
The InChIKey is IWNCFMZAKRJYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-3-19(4-2)24(28)26-22-15-17-27(18-16-22)25(29)23(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22-23H,3-4,15-18H2,1-2H3,(H,26,28).
What are the key properties of N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide?
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide has a molecular weight of 392.54 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide is sourced from PubChem (CID 108555568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).