N-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide

C15H14ClN3O2S — CID 13120683

IUPACN-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C1NCCN(C(=O)Nc2cccc(Cl)c2)C1c1cccs1
InChIInChI=1S/C15H14ClN3O2S/c16-10-3-1-4-11(9-10)18-15(21)19-7-6-17-14(20)13(19)12-5-2-8-22-12/h1-5,8-9,13H,6-7H2,(H,17,20)(H,18,21)
InChIKeyNBRILMIXZLEQDA-UHFFFAOYSA-N
MW335.82 g/mol
LogP3.11
Rot. Bonds2

About N-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide

N-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 13120683) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID13120683
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC NameN-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C1NCCN(C(=O)Nc2cccc(Cl)c2)C1c1cccs1
InChIInChI=1S/C15H14ClN3O2S/c16-10-3-1-4-11(9-10)18-15(21)19-7-6-17-14(20)13(19)12-5-2-8-22-12/h1-5,8-9,13H,6-7H2,(H,17,20)(H,18,21)
InChIKeyNBRILMIXZLEQDA-UHFFFAOYSA-N
XLogP3.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 71870427
3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 3070020
4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one
CID 119333805
4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one
CID 119801487
(2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 40769227
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
(4R)-N-(3-chlorophenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51925619
4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one
CID 71987151
N-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 141012271
methyl 2-(3-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 110656859
4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one
CID 127683926

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide (CID 13120683) is N-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide is O=C1NCCN(C(=O)Nc2cccc(Cl)c2)C1c1cccs1.
What is the InChIKey of N-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is NBRILMIXZLEQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c16-10-3-1-4-11(9-10)18-15(21)19-7-6-17-14(20)13(19)12-5-2-8-22-12/h1-5,8-9,13H,6-7H2,(H,17,20)(H,18,21).
What are the key properties of N-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide?
N-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 335.82 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 13120683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).