N-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide

C16H17N3O2S — CID 139004741

IUPACN-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccccc3)C(=O)C2)s1
InChIInChI=1S/C16H17N3O2S/c1-12-7-8-14(22-12)17-16(21)18-9-10-19(15(20)11-18)13-5-3-2-4-6-13/h2-8H,9-11H2,1H3,(H,17,21)
InChIKeyQKOUOSICMDKGTG-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.94
Rot. Bonds2

About N-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide

N-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide (PubChem CID 139004741) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide
PubChem CID139004741
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccccc3)C(=O)C2)s1
InChIInChI=1S/C16H17N3O2S/c1-12-7-8-14(22-12)17-16(21)18-9-10-19(15(20)11-18)13-5-3-2-4-6-13/h2-8H,9-11H2,1H3,(H,17,21)
InChIKeyQKOUOSICMDKGTG-UHFFFAOYSA-N
XLogP2.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one
CID 70710183
4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one
CID 70755852
N-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 75374875
3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide
CID 110019200
N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide
CID 78087226
4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide
CID 162674207
N-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 134161199
3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 134161663
N-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide
CID 118794821
4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid
CID 91178638
N-[(2S)-4-methylsulfanyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)butan-2-yl]acetamide
CID 70751926
4-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-1-phenylpiperazin-2-one
CID 96574547

Frequently Asked Questions

What is the IUPAC name of N-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide (CID 139004741) is N-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3ccccc3)C(=O)C2)s1.
What is the InChIKey of N-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide?
The InChIKey is QKOUOSICMDKGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-12-7-8-14(22-12)17-16(21)18-9-10-19(15(20)11-18)13-5-3-2-4-6-13/h2-8H,9-11H2,1H3,(H,17,21).
What are the key properties of N-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide?
N-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 139004741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).