N-(5-methyl-2-oxo-1-propan-2-ylpiperidin-3-yl)-4-phenylbutanamide

C19H28N2O2 — CID 167272688

IUPACN-(5-methyl-2-oxo-1-propan-2-ylpiperidin-3-yl)-4-phenylbutanamide
SMILESCC1CC(NC(=O)CCCc2ccccc2)C(=O)N(C(C)C)C1
InChIInChI=1S/C19H28N2O2/c1-14(2)21-13-15(3)12-17(19(21)23)20-18(22)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,14-15,17H,7,10-13H2,1-3H3,(H,20,22)
InChIKeyCOXDVUVXELJFET-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.77
Rot. Bonds6

About N-(5-methyl-2-oxo-1-propan-2-ylpiperidin-3-yl)-4-phenylbutanamide

N-(5-methyl-2-oxo-1-propan-2-ylpiperidin-3-yl)-4-phenylbutanamide (PubChem CID 167272688) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-(5-methyl-2-oxo-1-propan-2-ylpiperidin-3-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(5-methyl-2-oxo-1-propan-2-ylpiperidin-3-yl)-4-phenylbutanamide
PubChem CID167272688
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-(5-methyl-2-oxo-1-propan-2-ylpiperidin-3-yl)-4-phenylbutanamide
SMILESCC1CC(NC(=O)CCCc2ccccc2)C(=O)N(C(C)C)C1
InChIInChI=1S/C19H28N2O2/c1-14(2)21-13-15(3)12-17(19(21)23)20-18(22)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,14-15,17H,7,10-13H2,1-3H3,(H,20,22)
InChIKeyCOXDVUVXELJFET-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-5-oxo-4-(4-phenylbutanoylamino)pyrrolidine-2-carboxylic acid
CID 102273253
N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide
CID 158433949
N-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-4-phenylbutanamide
CID 72901003
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 7255054
N-(3,3-dimethylcyclopentyl)-4-phenylbutanamide
CID 115880624
N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide
CID 86273754
N-(1-ethylpiperidin-4-yl)-4-phenylbutanamide
CID 17250229
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 95985193
N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide
CID 75482244
N-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide
CID 96541296
3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119336507

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-oxo-1-propan-2-ylpiperidin-3-yl)-4-phenylbutanamide?
The IUPAC name of N-(5-methyl-2-oxo-1-propan-2-ylpiperidin-3-yl)-4-phenylbutanamide (CID 167272688) is N-(5-methyl-2-oxo-1-propan-2-ylpiperidin-3-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(5-methyl-2-oxo-1-propan-2-ylpiperidin-3-yl)-4-phenylbutanamide?
The canonical SMILES for N-(5-methyl-2-oxo-1-propan-2-ylpiperidin-3-yl)-4-phenylbutanamide is CC1CC(NC(=O)CCCc2ccccc2)C(=O)N(C(C)C)C1.
What is the InChIKey of N-(5-methyl-2-oxo-1-propan-2-ylpiperidin-3-yl)-4-phenylbutanamide?
The InChIKey is COXDVUVXELJFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14(2)21-13-15(3)12-17(19(21)23)20-18(22)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,14-15,17H,7,10-13H2,1-3H3,(H,20,22).
What are the key properties of N-(5-methyl-2-oxo-1-propan-2-ylpiperidin-3-yl)-4-phenylbutanamide?
N-(5-methyl-2-oxo-1-propan-2-ylpiperidin-3-yl)-4-phenylbutanamide has a molecular weight of 316.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-oxo-1-propan-2-ylpiperidin-3-yl)-4-phenylbutanamide is sourced from PubChem (CID 167272688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).