4-[1-cyclopentyl-2-[ethyl(methyl)amino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide

C18H32N4O2 — CID 24715797

IUPAC4-[1-cyclopentyl-2-[ethyl(methyl)amino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(C(C(=O)N(C)CC)C2CCCC2)CC1
InChIInChI=1S/C18H32N4O2/c1-4-10-19-18(24)22-13-11-21(12-14-22)16(15-8-6-7-9-15)17(23)20(3)5-2/h4,15-16H,1,5-14H2,2-3H3,(H,19,24)
InChIKeyWVPHLEMMICUYRG-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.54
Rot. Bonds6

About 4-[1-cyclopentyl-2-[ethyl(methyl)amino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide

4-[1-cyclopentyl-2-[ethyl(methyl)amino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide (PubChem CID 24715797) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-[1-cyclopentyl-2-[ethyl(methyl)amino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-cyclopentyl-2-[ethyl(methyl)amino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
PubChem CID24715797
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name4-[1-cyclopentyl-2-[ethyl(methyl)amino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(C(C(=O)N(C)CC)C2CCCC2)CC1
InChIInChI=1S/C18H32N4O2/c1-4-10-19-18(24)22-13-11-21(12-14-22)16(15-8-6-7-9-15)17(23)20(3)5-2/h4,15-16H,1,5-14H2,2-3H3,(H,19,24)
InChIKeyWVPHLEMMICUYRG-UHFFFAOYSA-N
XLogP1.54
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopentyl-2-[ethyl(methyl)amino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of 4-[1-cyclopentyl-2-[ethyl(methyl)amino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide (CID 24715797) is 4-[1-cyclopentyl-2-[ethyl(methyl)amino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[1-cyclopentyl-2-[ethyl(methyl)amino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for 4-[1-cyclopentyl-2-[ethyl(methyl)amino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide is C=CCNC(=O)N1CCN(C(C(=O)N(C)CC)C2CCCC2)CC1.
What is the InChIKey of 4-[1-cyclopentyl-2-[ethyl(methyl)amino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is WVPHLEMMICUYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-4-10-19-18(24)22-13-11-21(12-14-22)16(15-8-6-7-9-15)17(23)20(3)5-2/h4,15-16H,1,5-14H2,2-3H3,(H,19,24).
What are the key properties of 4-[1-cyclopentyl-2-[ethyl(methyl)amino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide?
4-[1-cyclopentyl-2-[ethyl(methyl)amino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopentyl-2-[ethyl(methyl)amino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 24715797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).