(3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone

C13H20N2O2S — CID 82247226

IUPAC(3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccsc1C(=O)N1CCNCC1C(C)C
InChIInChI=1S/C13H20N2O2S/c1-9(2)10-8-14-5-6-15(10)13(16)12-11(17-3)4-7-18-12/h4,7,9-10,14H,5-6,8H2,1-3H3
InChIKeyIJAAXCRBAADUCT-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.83
Rot. Bonds3

About (3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone

(3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 82247226) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone
PubChem CID82247226
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccsc1C(=O)N1CCNCC1C(C)C
InChIInChI=1S/C13H20N2O2S/c1-9(2)10-8-14-5-6-15(10)13(16)12-11(17-3)4-7-18-12/h4,7,9-10,14H,5-6,8H2,1-3H3
InChIKeyIJAAXCRBAADUCT-UHFFFAOYSA-N
XLogP1.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
CID 81118721
(2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82246394
[2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 91660020
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81122591
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxythiophen-2-yl)methanone
CID 81118727
2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82241180
methyl (2S)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride
CID 118918424
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 81117693
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119631702
(2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 81126515
1-(2-propan-2-ylpiperazin-1-yl)ethanone
CID 82240899
(3-methoxythiophen-2-yl)-(3-methyl-1,4-diazepan-1-yl)methanone
CID 82245290

Frequently Asked Questions

What is the IUPAC name of (3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone (CID 82247226) is (3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone is COc1ccsc1C(=O)N1CCNCC1C(C)C.
What is the InChIKey of (3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is IJAAXCRBAADUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(2)10-8-14-5-6-15(10)13(16)12-11(17-3)4-7-18-12/h4,7,9-10,14H,5-6,8H2,1-3H3.
What are the key properties of (3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone?
(3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 268.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 82247226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).