N-benzyl-2-cyclopentyl-2-[4-[(5-methyl-2-oxo-5-phenylpiperidin-1-yl)methyl]phenyl]acetamide

C33H38N2O2 — CID 68747470

IUPACN-benzyl-2-cyclopentyl-2-[4-[(5-methyl-2-oxo-5-phenylpiperidin-1-yl)methyl]phenyl]acetamide
SMILESCC1(c2ccccc2)CCC(=O)N(Cc2ccc(C(C(=O)NCc3ccccc3)C3CCCC3)cc2)C1
InChIInChI=1S/C33H38N2O2/c1-33(29-14-6-3-7-15-29)21-20-30(36)35(24-33)23-26-16-18-28(19-17-26)31(27-12-8-9-13-27)32(37)34-22-25-10-4-2-5-11-25/h2-7,10-11,14-19,27,31H,8-9,12-13,20-24H2,1H3,(H,34,37)
InChIKeyOQMXHEKONGQQSY-UHFFFAOYSA-N
MW494.68 g/mol
LogP6.36
Rot. Bonds8

About N-benzyl-2-cyclopentyl-2-[4-[(5-methyl-2-oxo-5-phenylpiperidin-1-yl)methyl]phenyl]acetamide

N-benzyl-2-cyclopentyl-2-[4-[(5-methyl-2-oxo-5-phenylpiperidin-1-yl)methyl]phenyl]acetamide (PubChem CID 68747470) has the molecular formula C33H38N2O2 and a molecular weight of 494.68 g/mol. Its IUPAC name is N-benzyl-2-cyclopentyl-2-[4-[(5-methyl-2-oxo-5-phenylpiperidin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-cyclopentyl-2-[4-[(5-methyl-2-oxo-5-phenylpiperidin-1-yl)methyl]phenyl]acetamide
PubChem CID68747470
Molecular FormulaC33H38N2O2
Molecular Weight494.68 g/mol
Exact Mass494.29
IUPAC NameN-benzyl-2-cyclopentyl-2-[4-[(5-methyl-2-oxo-5-phenylpiperidin-1-yl)methyl]phenyl]acetamide
SMILESCC1(c2ccccc2)CCC(=O)N(Cc2ccc(C(C(=O)NCc3ccccc3)C3CCCC3)cc2)C1
InChIInChI=1S/C33H38N2O2/c1-33(29-14-6-3-7-15-29)21-20-30(36)35(24-33)23-26-16-18-28(19-17-26)31(27-12-8-9-13-27)32(37)34-22-25-10-4-2-5-11-25/h2-7,10-11,14-19,27,31H,8-9,12-13,20-24H2,1H3,(H,34,37)
InChIKeyOQMXHEKONGQQSY-UHFFFAOYSA-N
XLogP6.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.68
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-phenyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 91794763
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N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
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N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylcyclopentane-1-carboxamide
CID 56922153
5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one
CID 70788411
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CID 58136732
(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide
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N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide
CID 68902944
(6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95896111
(2S)-2-cyclohexyl-3-oxo-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]propanoic acid
CID 125168722
1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 26336843
4-[[[2-cyclopentyl-2-[4-[(3,5-dioxo-6-phenyl-2H-1,2,4-triazin-4-yl)methyl]phenyl]acetyl]amino]methyl]-2-methylbenzoic acid
CID 68750029

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyclopentyl-2-[4-[(5-methyl-2-oxo-5-phenylpiperidin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of N-benzyl-2-cyclopentyl-2-[4-[(5-methyl-2-oxo-5-phenylpiperidin-1-yl)methyl]phenyl]acetamide (CID 68747470) is N-benzyl-2-cyclopentyl-2-[4-[(5-methyl-2-oxo-5-phenylpiperidin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-benzyl-2-cyclopentyl-2-[4-[(5-methyl-2-oxo-5-phenylpiperidin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-benzyl-2-cyclopentyl-2-[4-[(5-methyl-2-oxo-5-phenylpiperidin-1-yl)methyl]phenyl]acetamide is CC1(c2ccccc2)CCC(=O)N(Cc2ccc(C(C(=O)NCc3ccccc3)C3CCCC3)cc2)C1.
What is the InChIKey of N-benzyl-2-cyclopentyl-2-[4-[(5-methyl-2-oxo-5-phenylpiperidin-1-yl)methyl]phenyl]acetamide?
The InChIKey is OQMXHEKONGQQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O2/c1-33(29-14-6-3-7-15-29)21-20-30(36)35(24-33)23-26-16-18-28(19-17-26)31(27-12-8-9-13-27)32(37)34-22-25-10-4-2-5-11-25/h2-7,10-11,14-19,27,31H,8-9,12-13,20-24H2,1H3,(H,34,37).
What are the key properties of N-benzyl-2-cyclopentyl-2-[4-[(5-methyl-2-oxo-5-phenylpiperidin-1-yl)methyl]phenyl]acetamide?
N-benzyl-2-cyclopentyl-2-[4-[(5-methyl-2-oxo-5-phenylpiperidin-1-yl)methyl]phenyl]acetamide has a molecular weight of 494.68 g/mol, XLogP of 6.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyclopentyl-2-[4-[(5-methyl-2-oxo-5-phenylpiperidin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 68747470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).