N-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)benzamide

C26H32N2O3 — CID 10432288

IUPACN-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)benzamide
SMILESCC(=O)C1(c2ccccc2)CCN(C(=O)CNC(=O)c2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C26H32N2O3/c1-19(2)17-21-9-11-22(12-10-21)25(31)27-18-24(30)28-15-13-26(14-16-28,20(3)29)23-7-5-4-6-8-23/h4-12,19H,13-18H2,1-3H3,(H,27,31)
InChIKeyQNVDHCSULRCWDH-UHFFFAOYSA-N
MW420.55 g/mol
LogP3.76
Rot. Bonds7

About N-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)benzamide

N-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)benzamide (PubChem CID 10432288) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is N-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)benzamide
PubChem CID10432288
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC NameN-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)benzamide
SMILESCC(=O)C1(c2ccccc2)CCN(C(=O)CNC(=O)c2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C26H32N2O3/c1-19(2)17-21-9-11-22(12-10-21)25(31)27-18-24(30)28-15-13-26(14-16-28,20(3)29)23-7-5-4-6-8-23/h4-12,19H,13-18H2,1-3H3,(H,27,31)
InChIKeyQNVDHCSULRCWDH-UHFFFAOYSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 10096671
1-(2-benzyl-3-methylbutanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168430
N-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide
CID 10005478
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 86988977
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide
CID 55368593
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide
CID 171631086
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 112991929
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
4-(chloromethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 113405963

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)benzamide?
The IUPAC name of N-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)benzamide (CID 10432288) is N-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)benzamide?
The canonical SMILES for N-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)benzamide is CC(=O)C1(c2ccccc2)CCN(C(=O)CNC(=O)c2ccc(CC(C)C)cc2)CC1.
What is the InChIKey of N-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)benzamide?
The InChIKey is QNVDHCSULRCWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-19(2)17-21-9-11-22(12-10-21)25(31)27-18-24(30)28-15-13-26(14-16-28,20(3)29)23-7-5-4-6-8-23/h4-12,19H,13-18H2,1-3H3,(H,27,31).
What are the key properties of N-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)benzamide?
N-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)benzamide has a molecular weight of 420.55 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)benzamide is sourced from PubChem (CID 10432288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).