(3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

C15H24ClN3O2S — CID 120995788

IUPAC(3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCOc1cc(C)sc1C(=O)N1CCC(N2CCNCC2)C1.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-11-9-13(20-2)14(21-11)15(19)18-6-3-12(10-18)17-7-4-16-5-8-17;/h9,12,16H,3-8,10H2,1-2H3;1H
InChIKeyCWQIWLGOJWBMCU-UHFFFAOYSA-N
MW345.90 g/mol
LogP1.61
Rot. Bonds3

About (3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

(3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 120995788) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is (3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID120995788
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC Name(3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCOc1cc(C)sc1C(=O)N1CCC(N2CCNCC2)C1.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-11-9-13(20-2)14(21-11)15(19)18-6-3-12(10-18)17-7-4-16-5-8-17;/h9,12,16H,3-8,10H2,1-2H3;1H
InChIKeyCWQIWLGOJWBMCU-UHFFFAOYSA-N
XLogP1.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methoxy-3-methyl-1-benzothiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997914
(3-piperazin-1-ylpyrrolidin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 120997118
(4,5-dichloro-2-methoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996486
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone
CID 124590377
(4-bromo-2-methoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994588
[3-(methoxymethyl)thiophen-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994475
(4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994712
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 120994866
1-[5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;hydrochloride
CID 120997297
1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
CID 120996197
[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997600

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (CID 120995788) is (3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is COc1cc(C)sc1C(=O)N1CCC(N2CCNCC2)C1.Cl.
What is the InChIKey of (3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is CWQIWLGOJWBMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S.ClH/c1-11-9-13(20-2)14(21-11)15(19)18-6-3-12(10-18)17-7-4-16-5-8-17;/h9,12,16H,3-8,10H2,1-2H3;1H.
What are the key properties of (3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
(3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 345.90 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120995788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).