4-(3-aminocyclohexanecarbonyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride

C15H22ClN3O2S — CID 119801482

IUPAC4-(3-aminocyclohexanecarbonyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCNC(=O)C2c2cccs2)C1
InChIInChI=1S/C15H21N3O2S.ClH/c16-11-4-1-3-10(9-11)15(20)18-7-6-17-14(19)13(18)12-5-2-8-21-12;/h2,5,8,10-11,13H,1,3-4,6-7,9,16H2,(H,17,19);1H
InChIKeyMOOUBDYCEHJNLZ-UHFFFAOYSA-N
MW343.88 g/mol
LogP1.69
Rot. Bonds2

About 4-(3-aminocyclohexanecarbonyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride

4-(3-aminocyclohexanecarbonyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride (PubChem CID 119801482) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is 4-(3-aminocyclohexanecarbonyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(3-aminocyclohexanecarbonyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride
PubChem CID119801482
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC Name4-(3-aminocyclohexanecarbonyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCNC(=O)C2c2cccs2)C1
InChIInChI=1S/C15H21N3O2S.ClH/c16-11-4-1-3-10(9-11)15(20)18-7-6-17-14(19)13(18)12-5-2-8-21-12;/h2,5,8,10-11,13H,1,3-4,6-7,9,16H2,(H,17,19);1H
InChIKeyMOOUBDYCEHJNLZ-UHFFFAOYSA-N
XLogP1.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one
CID 119333805
3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 3070020
trans-(1R,2R)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129466992
4-[4-(aminomethyl)benzoyl]-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119333806
4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one
CID 119801487
4-[4-(methylamino)butanoyl]-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119801478
(3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one
CID 95898826
(3R)-4-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-3-thiophen-2-ylpiperazin-2-one
CID 100641562
4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one
CID 110657064
4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119939774
4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one
CID 127683926
4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one
CID 71987151

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclohexanecarbonyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride?
The IUPAC name of 4-(3-aminocyclohexanecarbonyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride (CID 119801482) is 4-(3-aminocyclohexanecarbonyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 4-(3-aminocyclohexanecarbonyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride?
The canonical SMILES for 4-(3-aminocyclohexanecarbonyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride is Cl.NC1CCCC(C(=O)N2CCNC(=O)C2c2cccs2)C1.
What is the InChIKey of 4-(3-aminocyclohexanecarbonyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride?
The InChIKey is MOOUBDYCEHJNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S.ClH/c16-11-4-1-3-10(9-11)15(20)18-7-6-17-14(19)13(18)12-5-2-8-21-12;/h2,5,8,10-11,13H,1,3-4,6-7,9,16H2,(H,17,19);1H.
What are the key properties of 4-(3-aminocyclohexanecarbonyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride?
4-(3-aminocyclohexanecarbonyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride has a molecular weight of 343.88 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclohexanecarbonyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 119801482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).