4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide

C20H34N4O2 — CID 46027291

IUPAC4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(C(C(=O)N2CCCCC2)C2CCCC2)CC1
InChIInChI=1S/C20H34N4O2/c1-2-10-21-20(26)24-15-13-22(14-16-24)18(17-8-4-5-9-17)19(25)23-11-6-3-7-12-23/h2,17-18H,1,3-16H2,(H,21,26)
InChIKeyCCJDMKOGRUOSJM-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.07
Rot. Bonds5

About 4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide

4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide (PubChem CID 46027291) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
PubChem CID46027291
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(C(C(=O)N2CCCCC2)C2CCCC2)CC1
InChIInChI=1S/C20H34N4O2/c1-2-10-21-20(26)24-15-13-22(14-16-24)18(17-8-4-5-9-17)19(25)23-11-6-3-7-12-23/h2,17-18H,1,3-16H2,(H,21,26)
InChIKeyCCJDMKOGRUOSJM-UHFFFAOYSA-N
XLogP2.07
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 46027309
(2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 93210191
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 24716536
N-prop-2-enylpyrrolidine-1-carboxamide
CID 102517238
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
CID 24719805
4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 46027240
4-[(1S)-1-cyclopentyl-2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 93221335
4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide
CID 93221518
4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 93221329
1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 24719217
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 46024550
4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221394

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of 4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide (CID 46027291) is 4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide is C=CCNC(=O)N1CCN(C(C(=O)N2CCCCC2)C2CCCC2)CC1.
What is the InChIKey of 4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is CCJDMKOGRUOSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-2-10-21-20(26)24-15-13-22(14-16-24)18(17-8-4-5-9-17)19(25)23-11-6-3-7-12-23/h2,17-18H,1,3-16H2,(H,21,26).
What are the key properties of 4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide?
4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 46027291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).