1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide

C13H19N3O3S — CID 81118721

IUPAC1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCOc1ccsc1C(=O)N1CCNCC1C(=O)N(C)C
InChIInChI=1S/C13H19N3O3S/c1-15(2)12(17)9-8-14-5-6-16(9)13(18)11-10(19-3)4-7-20-11/h4,7,9,14H,5-6,8H2,1-3H3
InChIKeyUAUHBPQVGRTRHW-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.26
Rot. Bonds3

About 1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide

1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 81118721) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
PubChem CID81118721
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCOc1ccsc1C(=O)N1CCNCC1C(=O)N(C)C
InChIInChI=1S/C13H19N3O3S/c1-15(2)12(17)9-8-14-5-6-16(9)13(18)11-10(19-3)4-7-20-11/h4,7,9,14H,5-6,8H2,1-3H3
InChIKeyUAUHBPQVGRTRHW-UHFFFAOYSA-N
XLogP0.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82247226
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 81117693
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81122591
(2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 81126515
(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide
CID 95804037
1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 107672122
N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide
CID 114822004
(4R)-3-(3-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 81127529
[2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 91660020
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxythiophen-2-yl)methanone
CID 81118727
1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 81315811
(3-methoxythiophen-2-yl)-(3-methyl-1,4-diazepan-1-yl)methanone
CID 82245290

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide (CID 81118721) is 1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide is COc1ccsc1C(=O)N1CCNCC1C(=O)N(C)C.
What is the InChIKey of 1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is UAUHBPQVGRTRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-15(2)12(17)9-8-14-5-6-16(9)13(18)11-10(19-3)4-7-20-11/h4,7,9,14H,5-6,8H2,1-3H3.
What are the key properties of 1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide?
1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 81118721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).