4-[(1S)-2-[benzyl(methyl)amino]-1-cyclopentyl-2-oxoethyl]-N-ethylpiperazine-1-carboxamide

C22H34N4O2 — CID 93221479

IUPAC4-[(1S)-2-[benzyl(methyl)amino]-1-cyclopentyl-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN([C@H](C(=O)N(C)Cc2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C22H34N4O2/c1-3-23-22(28)26-15-13-25(14-16-26)20(19-11-7-8-12-19)21(27)24(2)17-18-9-5-4-6-10-18/h4-6,9-10,19-20H,3,7-8,11-17H2,1-2H3,(H,23,28)/t20-/m0/s1
InChIKeyLHFVWZBCESHMNE-FQEVSTJZSA-N
MW386.54 g/mol
LogP2.55
Rot. Bonds6

About 4-[(1S)-2-[benzyl(methyl)amino]-1-cyclopentyl-2-oxoethyl]-N-ethylpiperazine-1-carboxamide

4-[(1S)-2-[benzyl(methyl)amino]-1-cyclopentyl-2-oxoethyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 93221479) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 4-[(1S)-2-[benzyl(methyl)amino]-1-cyclopentyl-2-oxoethyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S)-2-[benzyl(methyl)amino]-1-cyclopentyl-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
PubChem CID93221479
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name4-[(1S)-2-[benzyl(methyl)amino]-1-cyclopentyl-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN([C@H](C(=O)N(C)Cc2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C22H34N4O2/c1-3-23-22(28)26-15-13-25(14-16-26)20(19-11-7-8-12-19)21(27)24(2)17-18-9-5-4-6-10-18/h4-6,9-10,19-20H,3,7-8,11-17H2,1-2H3,(H,23,28)/t20-/m0/s1
InChIKeyLHFVWZBCESHMNE-FQEVSTJZSA-N
XLogP2.55
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(1S)-2-[benzyl(methyl)amino]-1-cyclopentyl-2-oxoethyl]-N-ethylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2-[benzyl(methyl)amino]-1-cyclopentyl-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[(1S)-2-[benzyl(methyl)amino]-1-cyclopentyl-2-oxoethyl]-N-ethylpiperazine-1-carboxamide (CID 93221479) is 4-[(1S)-2-[benzyl(methyl)amino]-1-cyclopentyl-2-oxoethyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(1S)-2-[benzyl(methyl)amino]-1-cyclopentyl-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(1S)-2-[benzyl(methyl)amino]-1-cyclopentyl-2-oxoethyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN([C@H](C(=O)N(C)Cc2ccccc2)C2CCCC2)CC1.
What is the InChIKey of 4-[(1S)-2-[benzyl(methyl)amino]-1-cyclopentyl-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is LHFVWZBCESHMNE-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-3-23-22(28)26-15-13-25(14-16-26)20(19-11-7-8-12-19)21(27)24(2)17-18-9-5-4-6-10-18/h4-6,9-10,19-20H,3,7-8,11-17H2,1-2H3,(H,23,28)/t20-/m0/s1.
What are the key properties of 4-[(1S)-2-[benzyl(methyl)amino]-1-cyclopentyl-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
4-[(1S)-2-[benzyl(methyl)amino]-1-cyclopentyl-2-oxoethyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2-[benzyl(methyl)amino]-1-cyclopentyl-2-oxoethyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 93221479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).