N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide

C21H24N2O2 — CID 1360092

IUPACN-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide
SMILESCc1ccc(NC(=O)CN2CCCCC2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C21H24N2O2/c1-16-10-11-19(22-20(24)15-23-12-6-3-7-13-23)18(14-16)21(25)17-8-4-2-5-9-17/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,22,24)
InChIKeyLJKYMKQRGOVUPY-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.65
Rot. Bonds5

About N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide

N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide (PubChem CID 1360092) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide
PubChem CID1360092
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide
SMILESCc1ccc(NC(=O)CN2CCCCC2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C21H24N2O2/c1-16-10-11-19(22-20(24)15-23-12-6-3-7-13-23)18(14-16)21(25)17-8-4-2-5-9-17/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,22,24)
InChIKeyLJKYMKQRGOVUPY-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3039234
(2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide
CID 1332847
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(2-benzoyl-4-chlorophenyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56569861
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 3046011
methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472
N-(2-acetyl-4-methylphenyl)-2-morpholin-4-ylacetamide
CID 135053120
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 3046004
N-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 4729182
N-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133594

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide (CID 1360092) is N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide is Cc1ccc(NC(=O)CN2CCCCC2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide?
The InChIKey is LJKYMKQRGOVUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16-10-11-19(22-20(24)15-23-12-6-3-7-13-23)18(14-16)21(25)17-8-4-2-5-9-17/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,22,24).
What are the key properties of N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide?
N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide has a molecular weight of 336.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 1360092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).