N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide

C24H29N3O2 — CID 42240993

IUPACN-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide
SMILESO=C(C[C@H]1C(=O)NCCN1C1CCCC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29N3O2/c28-22(17-21-24(29)25-15-16-27(21)20-13-7-8-14-20)26-23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20-21,23H,7-8,13-17H2,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyWOEYXWIFUKFBPH-NRFANRHFSA-N
MW391.51 g/mol
LogP3.03
Rot. Bonds6

About N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide

N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide (PubChem CID 42240993) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide
PubChem CID42240993
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC NameN-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide
SMILESO=C(C[C@H]1C(=O)NCCN1C1CCCC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29N3O2/c28-22(17-21-24(29)25-15-16-27(21)20-13-7-8-14-20)26-23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20-21,23H,7-8,13-17H2,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyWOEYXWIFUKFBPH-NRFANRHFSA-N
XLogP3.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide
CID 45225436
benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate
CID 42426678
2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 50984132
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 45192958
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 45196144
2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 42557154
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24791261
2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 95719696
N-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide
CID 42287624
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide
CID 56900793
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide
CID 56901016
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(3-methylpentan-3-yl)acetamide
CID 56895438

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide (CID 42240993) is N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide is O=C(C[C@H]1C(=O)NCCN1C1CCCC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide?
The InChIKey is WOEYXWIFUKFBPH-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-22(17-21-24(29)25-15-16-27(21)20-13-7-8-14-20)26-23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20-21,23H,7-8,13-17H2,(H,25,29)(H,26,28)/t21-/m0/s1.
What are the key properties of N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide?
N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide has a molecular weight of 391.51 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 42240993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).