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

C11H15N3O2S — CID 47127631

IUPACN-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
SMILESCNC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C11H15N3O2S/c1-12-11(16)14-6-4-13(5-7-14)10(15)9-3-2-8-17-9/h2-3,8H,4-7H2,1H3,(H,12,16)
InChIKeyQCYIQVVIZXFVOW-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.85
Rot. Bonds1

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

N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide (PubChem CID 47127631) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
PubChem CID47127631
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
SMILESCNC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C11H15N3O2S/c1-12-11(16)14-6-4-13(5-7-14)10(15)9-3-2-8-17-9/h2-3,8H,4-7H2,1H3,(H,12,16)
InChIKeyQCYIQVVIZXFVOW-UHFFFAOYSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 97212820
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 51186037
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 71931543
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438
4-(thiophene-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 121496273
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide (CID 47127631) is N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide is CNC(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is QCYIQVVIZXFVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-12-11(16)14-6-4-13(5-7-14)10(15)9-3-2-8-17-9/h2-3,8H,4-7H2,1H3,(H,12,16).
What are the key properties of N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 47127631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).