(3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride

C17H21ClN2O2S — CID 119578955

IUPAC(3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1cc(-c2ccccc2)sc1C(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C17H20N2O2S.ClH/c1-12-11-19(9-8-18-12)17(20)16-14(21-2)10-15(22-16)13-6-4-3-5-7-13;/h3-7,10,12,18H,8-9,11H2,1-2H3;1H
InChIKeyIFILPPVRBSHMAZ-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.28
Rot. Bonds3

About (3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride

(3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119578955) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is (3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119578955
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC Name(3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1cc(-c2ccccc2)sc1C(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C17H20N2O2S.ClH/c1-12-11-19(9-8-18-12)17(20)16-14(21-2)10-15(22-16)13-6-4-3-5-7-13;/h3-7,10,12,18H,8-9,11H2,1-2H3;1H
InChIKeyIFILPPVRBSHMAZ-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
CID 119379893
(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792
[3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
CID 119595140
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
3,9-diazabicyclo[4.2.1]nonan-3-yl-(3-ethoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
CID 119635171
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
(2-methoxy-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426724
(4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580362
(3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 119580704
(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4R)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 97062903
(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 97062901
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579116

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119578955) is (3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride is COc1cc(-c2ccccc2)sc1C(=O)N1CCNC(C)C1.Cl.
What is the InChIKey of (3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is IFILPPVRBSHMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S.ClH/c1-12-11-19(9-8-18-12)17(20)16-14(21-2)10-15(22-16)13-6-4-3-5-7-13;/h3-7,10,12,18H,8-9,11H2,1-2H3;1H.
What are the key properties of (3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
(3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 352.89 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119578955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).