(5-chlorothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone

C15H15ClN2OS — CID 1245506

IUPAC(5-chlorothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H15ClN2OS/c16-14-7-6-13(20-14)15(19)18-10-8-17(9-11-18)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyTWBIAUNVWPLANF-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.36
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone

(5-chlorothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 1245506) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID1245506
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name(5-chlorothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H15ClN2OS/c16-14-7-6-13(20-14)15(19)18-10-8-17(9-11-18)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyTWBIAUNVWPLANF-UHFFFAOYSA-N
XLogP3.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene-2-carboxylic acid (4-chloro-phenyl)-amide
CID 728651
N-(3-chlorophenyl)thiophene-2-carboxamide
CID 531925
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
[4-(3-Chlorophenyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 2443218
AJ-292/14128010
CID 669834
N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075548
1-(4-Chlorophenyl)-4-[(4,5-dimethyl-3-thienyl)carbonyl]piperazine
CID 1247359
1-(5-Chlorothiophen-2-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]butane-1,4-dione
CID 4787588
N-(1-benzylpiperidin-4-yl)-N-(4-chlorophenyl)thiophene-2-carboxamide
CID 44319043
{4-[4-(2-Thienylcarbonyl)piperazin-1-yl]phenyl}amine
CID 1154358
[4-(4-Phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 660306

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone (CID 1245506) is (5-chlorothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc(Cl)s1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is TWBIAUNVWPLANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-14-7-6-13(20-14)15(19)18-10-8-17(9-11-18)12-4-2-1-3-5-12/h1-7H,8-11H2.
What are the key properties of (5-chlorothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
(5-chlorothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 306.82 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 1245506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).