(3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone

C11H15ClN2OS — CID 107359394

IUPAC(3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone
SMILESCN1CCN(C)C(C(=O)c2sccc2Cl)C1
InChIInChI=1S/C11H15ClN2OS/c1-13-4-5-14(2)9(7-13)10(15)11-8(12)3-6-16-11/h3,6,9H,4-5,7H2,1-2H3
InChIKeyCEWRSXUIDHUXMJ-UHFFFAOYSA-N
MW258.77 g/mol
LogP1.83
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone

(3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone (PubChem CID 107359394) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone
PubChem CID107359394
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name(3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone
SMILESCN1CCN(C)C(C(=O)c2sccc2Cl)C1
InChIInChI=1S/C11H15ClN2OS/c1-13-4-5-14(2)9(7-13)10(15)11-8(12)3-6-16-11/h3,6,9H,4-5,7H2,1-2H3
InChIKeyCEWRSXUIDHUXMJ-UHFFFAOYSA-N
XLogP1.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone
CID 107359505
3-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]thiophene-2-carboxamide
CID 129486680
(3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 80530092
(3-chlorothiophen-2-yl)-cyclopentylmethanone
CID 80530065
[3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone
CID 80641541
4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid
CID 123401264
(3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671123
2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid
CID 22939230
1-(1,4-dimethylpiperazin-2-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 79824120
(3-chloropyrrolidin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 80641309
3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 129486594
(3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 115300132

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone (CID 107359394) is (3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone is CN1CCN(C)C(C(=O)c2sccc2Cl)C1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone?
The InChIKey is CEWRSXUIDHUXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-13-4-5-14(2)9(7-13)10(15)11-8(12)3-6-16-11/h3,6,9H,4-5,7H2,1-2H3.
What are the key properties of (3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone?
(3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone has a molecular weight of 258.77 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone is sourced from PubChem (CID 107359394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).