N-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide

C14H23N3O3 — CID 113159226

IUPACN-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C=O)CC1)C1CCCC1
InChIInChI=1S/C14H23N3O3/c1-12(19)17(13-4-2-3-5-13)10-14(20)16-8-6-15(11-18)7-9-16/h11,13H,2-10H2,1H3
InChIKeyXTVOVIUFPSUHJB-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.08
Rot. Bonds4

About N-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide

N-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide (PubChem CID 113159226) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
PubChem CID113159226
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C=O)CC1)C1CCCC1
InChIInChI=1S/C14H23N3O3/c1-12(19)17(13-4-2-3-5-13)10-14(20)16-8-6-15(11-18)7-9-16/h11,13H,2-10H2,1H3
InChIKeyXTVOVIUFPSUHJB-UHFFFAOYSA-N
XLogP0.08
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide
CID 113166274
N-cycloheptyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113166258
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492
ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate
CID 113166314
4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde
CID 142393179
2-[acetyl-(1-formylpiperidin-4-yl)amino]acetic acid;ethane
CID 170716042
4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde
CID 110850251
N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113166319
N-cyclopentyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159270
N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159295
2-[acetyl-[(4S)-1-(2-cyclopentylacetyl)azepan-4-yl]amino]acetic acid
CID 129468615
N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159467

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide (CID 113159226) is N-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide is CC(=O)N(CC(=O)N1CCN(C=O)CC1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is XTVOVIUFPSUHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-12(19)17(13-4-2-3-5-13)10-14(20)16-8-6-15(11-18)7-9-16/h11,13H,2-10H2,1H3.
What are the key properties of N-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide?
N-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113159226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).