[5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

C24H26F6N2OS — CID 89011143

IUPAC[5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc1C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C24H26F6N2OS/c1-15-11-20(16-12-17(23(25,26)27)14-18(13-16)24(28,29)30)34-21(15)22(33)32-9-5-19(6-10-32)31-7-3-2-4-8-31/h11-14,19H,2-10H2,1H3
InChIKeyMPWZBVGGEJFSHZ-UHFFFAOYSA-N
MW504.54 g/mol
LogP6.85
Rot. Bonds3

About [5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

[5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 89011143) has the molecular formula C24H26F6N2OS and a molecular weight of 504.54 g/mol. Its IUPAC name is [5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID89011143
Molecular FormulaC24H26F6N2OS
Molecular Weight504.54 g/mol
Exact Mass504.17
IUPAC Name[5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc1C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C24H26F6N2OS/c1-15-11-20(16-12-17(23(25,26)27)14-18(13-16)24(28,29)30)34-21(15)22(33)32-9-5-19(6-10-32)31-7-3-2-4-8-31/h11-14,19H,2-10H2,1H3
InChIKeyMPWZBVGGEJFSHZ-UHFFFAOYSA-N
XLogP6.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.54
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-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

(4-cyclopentylpiperazin-1-yl)-[5-(2,6-dimethylphenyl)-3-methylthiophen-2-yl]methanone
CID 70831673
[6-(hydroxymethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 44547505
1,4-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 57441148
[4-(azepan-1-yl)piperidin-1-yl]-[4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazol-5-yl]methanone
CID 59338791
[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338601
[6-(2-hydroxyethylamino)-3-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 44547500
1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 150147324
(4-pyrrolidin-1-ylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 56550837
(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62065172
(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115745976
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338445

Frequently Asked Questions

What is the IUPAC name of [5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 89011143) is [5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is Cc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc1C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of [5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is MPWZBVGGEJFSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F6N2OS/c1-15-11-20(16-12-17(23(25,26)27)14-18(13-16)24(28,29)30)34-21(15)22(33)32-9-5-19(6-10-32)31-7-3-2-4-8-31/h11-14,19H,2-10H2,1H3.
What are the key properties of [5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 504.54 g/mol, XLogP of 6.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 89011143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).