2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide

C16H29N3O3 — CID 45192958

IUPAC2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
SMILESCC(C)(CO)CNC(=O)CC1C(=O)NCCN1C1CCCC1
InChIInChI=1S/C16H29N3O3/c1-16(2,11-20)10-18-14(21)9-13-15(22)17-7-8-19(13)12-5-3-4-6-12/h12-13,20H,3-11H2,1-2H3,(H,17,22)(H,18,21)
InChIKeyVYUSYKFDTGTFPC-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.25
Rot. Bonds6

About 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide

2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide (PubChem CID 45192958) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
PubChem CID45192958
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
SMILESCC(C)(CO)CNC(=O)CC1C(=O)NCCN1C1CCCC1
InChIInChI=1S/C16H29N3O3/c1-16(2,11-20)10-18-14(21)9-13-15(22)17-7-8-19(13)12-5-3-4-6-12/h12-13,20H,3-11H2,1-2H3,(H,17,22)(H,18,21)
InChIKeyVYUSYKFDTGTFPC-UHFFFAOYSA-N
XLogP0.25
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 45170388
N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide
CID 45225436
2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 42527313
2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 42557154
2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 45214770
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide
CID 56855032
N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide
CID 42240993
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 45196144
N-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide
CID 42287624
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-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide
CID 56901016
2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide
CID 95716394

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide (CID 45192958) is 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide is CC(C)(CO)CNC(=O)CC1C(=O)NCCN1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?
The InChIKey is VYUSYKFDTGTFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-16(2,11-20)10-18-14(21)9-13-15(22)17-7-8-19(13)12-5-3-4-6-12/h12-13,20H,3-11H2,1-2H3,(H,17,22)(H,18,21).
What are the key properties of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide has a molecular weight of 311.43 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 45192958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).