N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide

C19H26ClN3O2 — CID 45225436

IUPACN-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide
SMILESO=C(CC1C(=O)NCCN1C1CCCC1)NCCc1ccccc1Cl
InChIInChI=1S/C19H26ClN3O2/c20-16-8-4-1-5-14(16)9-10-21-18(24)13-17-19(25)22-11-12-23(17)15-6-2-3-7-15/h1,4-5,8,15,17H,2-3,6-7,9-13H2,(H,21,24)(H,22,25)
InChIKeyCWONMQVGGYCYCW-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide

N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide (PubChem CID 45225436) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide
PubChem CID45225436
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide
SMILESO=C(CC1C(=O)NCCN1C1CCCC1)NCCc1ccccc1Cl
InChIInChI=1S/C19H26ClN3O2/c20-16-8-4-1-5-14(16)9-10-21-18(24)13-17-19(25)22-11-12-23(17)15-6-2-3-7-15/h1,4-5,8,15,17H,2-3,6-7,9-13H2,(H,21,24)(H,22,25)
InChIKeyCWONMQVGGYCYCW-UHFFFAOYSA-N
XLogP2.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide
CID 42240993
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 45170388
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 45192958
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 45247717
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 45216041
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 45196144
benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate
CID 42426678
2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 42557154
2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 50984132
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24791261
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 45213936
2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 25375269

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide (CID 45225436) is N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide is O=C(CC1C(=O)NCCN1C1CCCC1)NCCc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide?
The InChIKey is CWONMQVGGYCYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c20-16-8-4-1-5-14(16)9-10-21-18(24)13-17-19(25)22-11-12-23(17)15-6-2-3-7-15/h1,4-5,8,15,17H,2-3,6-7,9-13H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide?
N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide has a molecular weight of 363.89 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide is sourced from PubChem (CID 45225436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).