4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide

C23H34N4O2S — CID 46027343

IUPAC4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(C(=O)N3CCSCC3)C3CCCC3)CC2)cc1
InChIInChI=1S/C23H34N4O2S/c1-18-6-8-20(9-7-18)24-23(29)27-12-10-25(11-13-27)21(19-4-2-3-5-19)22(28)26-14-16-30-17-15-26/h6-9,19,21H,2-5,10-17H2,1H3,(H,24,29)
InChIKeyJRJPEPMPURQSMO-UHFFFAOYSA-N
MW430.62 g/mol
LogP3.28
Rot. Bonds4

About 4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide

4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 46027343) has the molecular formula C23H34N4O2S and a molecular weight of 430.62 g/mol. Its IUPAC name is 4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID46027343
Molecular FormulaC23H34N4O2S
Molecular Weight430.62 g/mol
Exact Mass430.24
IUPAC Name4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(C(=O)N3CCSCC3)C3CCCC3)CC2)cc1
InChIInChI=1S/C23H34N4O2S/c1-18-6-8-20(9-7-18)24-23(29)27-12-10-25(11-13-27)21(19-4-2-3-5-19)22(28)26-14-16-30-17-15-26/h6-9,19,21H,2-5,10-17H2,1H3,(H,24,29)
InChIKeyJRJPEPMPURQSMO-UHFFFAOYSA-N
XLogP3.28
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-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

Related Compounds

4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide
CID 93221518
1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 93208810
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-1-thiomorpholin-4-ylethanone
CID 46024160
4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221443
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-(3-chlorophenyl)-4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 46027273
4-[(1S)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 93221214
4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221394
N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 93221455
4-[(1S)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221460
4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221209
2-methyl-3-[4-[(4-methylphenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoic acid
CID 122066142

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide (CID 46027343) is 4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(C(C(=O)N3CCSCC3)C3CCCC3)CC2)cc1.
What is the InChIKey of 4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is JRJPEPMPURQSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2S/c1-18-6-8-20(9-7-18)24-23(29)27-12-10-25(11-13-27)21(19-4-2-3-5-19)22(28)26-14-16-30-17-15-26/h6-9,19,21H,2-5,10-17H2,1H3,(H,24,29).
What are the key properties of 4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 430.62 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 46027343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).