(2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone

C16H15Cl2NOS — CID 90522375

IUPAC(2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C16H15Cl2NOS/c17-13-1-2-14(15(18)9-13)16(20)19-6-3-11(4-7-19)12-5-8-21-10-12/h1-2,5,8-11H,3-4,6-7H2
InChIKeyGXBLWIJJTXJONC-UHFFFAOYSA-N
MW340.28 g/mol
LogP5.07
Rot. Bonds2

About (2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone

(2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone (PubChem CID 90522375) has the molecular formula C16H15Cl2NOS and a molecular weight of 340.28 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
PubChem CID90522375
Molecular FormulaC16H15Cl2NOS
Molecular Weight340.28 g/mol
Exact Mass339.03
IUPAC Name(2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C16H15Cl2NOS/c17-13-1-2-14(15(18)9-13)16(20)19-6-3-11(4-7-19)12-5-8-21-10-12/h1-2,5,8-11H,3-4,6-7H2
InChIKeyGXBLWIJJTXJONC-UHFFFAOYSA-N
XLogP5.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.28
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-5-nitrophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 90522385
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
2-(2,4-dichlorophenoxy)-1-(3-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 131702200
(2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 71786960
(4-bromophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 90522383
2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
CID 78980399
[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 24615468
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
[3-(4-chlorophenyl)azepan-1-yl]-(2,4-dichlorophenyl)methanone
CID 121146499
[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 2050587
(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671362
(2,4-dichlorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114606

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone (CID 90522375) is (2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone is O=C(c1ccc(Cl)cc1Cl)N1CCC(c2ccsc2)CC1.
What is the InChIKey of (2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The InChIKey is GXBLWIJJTXJONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NOS/c17-13-1-2-14(15(18)9-13)16(20)19-6-3-11(4-7-19)12-5-8-21-10-12/h1-2,5,8-11H,3-4,6-7H2.
What are the key properties of (2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
(2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone has a molecular weight of 340.28 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 90522375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).