N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

C16H17N3O2S — CID 51186037

IUPACN-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C16H17N3O2S/c20-15(14-7-4-12-22-14)18-8-10-19(11-9-18)16(21)17-13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H,17,21)
InChIKeyDLEIYGKPJJAMRJ-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.74
Rot. Bonds2

About N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide (PubChem CID 51186037) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
PubChem CID51186037
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C16H17N3O2S/c20-15(14-7-4-12-22-14)18-8-10-19(11-9-18)16(21)17-13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H,17,21)
InChIKeyDLEIYGKPJJAMRJ-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
N-methyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 97212820
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 71931543
(2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 41119333
methyl (2R)-2-[[(2S)-4-(phenylcarbamoyl)-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]propanoate
CID 162912680
4-(thiophene-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 121496273
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide (CID 51186037) is N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is DLEIYGKPJJAMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-15(14-7-4-12-22-14)18-8-10-19(11-9-18)16(21)17-13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H,17,21).
What are the key properties of N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 51186037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).