4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide

C18H32N4O2S — CID 93221518

IUPAC4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN([C@@H](C(=O)N2CCSCC2)C2CCCC2)CC1
InChIInChI=1S/C18H32N4O2S/c1-2-19-18(24)22-9-7-20(8-10-22)16(15-5-3-4-6-15)17(23)21-11-13-25-14-12-21/h15-16H,2-14H2,1H3,(H,19,24)/t16-/m1/s1
InChIKeyDQDILJJBZQAODQ-MRXNPFEDSA-N
MW368.55 g/mol
LogP1.47
Rot. Bonds4

About 4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide

4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 93221518) has the molecular formula C18H32N4O2S and a molecular weight of 368.55 g/mol. Its IUPAC name is 4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide
PubChem CID93221518
Molecular FormulaC18H32N4O2S
Molecular Weight368.55 g/mol
Exact Mass368.22
IUPAC Name4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN([C@@H](C(=O)N2CCSCC2)C2CCCC2)CC1
InChIInChI=1S/C18H32N4O2S/c1-2-19-18(24)22-9-7-20(8-10-22)16(15-5-3-4-6-15)17(23)21-11-13-25-14-12-21/h15-16H,2-14H2,1H3,(H,19,24)/t16-/m1/s1
InChIKeyDQDILJJBZQAODQ-MRXNPFEDSA-N
XLogP1.47
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide with MolForge

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Related Compounds

1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 93208810
4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 46027343
4-[2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 46027309
4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 46027291
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-1-thiomorpholin-4-ylethanone
CID 46024160
4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 46027346
1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 24719217
methyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 42842351
4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
CID 116676223
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
CID 24719805
4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42843501
4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide
CID 107904221

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide (CID 93221518) is 4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN([C@@H](C(=O)N2CCSCC2)C2CCCC2)CC1.
What is the InChIKey of 4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is DQDILJJBZQAODQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H32N4O2S/c1-2-19-18(24)22-9-7-20(8-10-22)16(15-5-3-4-6-15)17(23)21-11-13-25-14-12-21/h15-16H,2-14H2,1H3,(H,19,24)/t16-/m1/s1.
What are the key properties of 4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide?
4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 368.55 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 93221518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).