(2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone

C18H21NOS — CID 24660786

IUPAC(2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(c3ccccc3)CC2)c(C)s1
InChIInChI=1S/C18H21NOS/c1-13-12-17(14(2)21-13)18(20)19-10-8-16(9-11-19)15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3
InChIKeySEXVMSBDESDPSM-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.38
Rot. Bonds2

About (2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone

(2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone (PubChem CID 24660786) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
PubChem CID24660786
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name(2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(c3ccccc3)CC2)c(C)s1
InChIInChI=1S/C18H21NOS/c1-13-12-17(14(2)21-13)18(20)19-10-8-16(9-11-19)15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3
InChIKeySEXVMSBDESDPSM-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-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

6-methyl-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 86768751
6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one
CID 154863854
(2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 143724817
(2,4-dimethyl-1,3-thiazol-5-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581415
[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 42359038
(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581702
(5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 80625752
5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide
CID 68831202
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157
[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 99609284
(4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581120
(2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 79783331

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone (CID 24660786) is (2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCC(c3ccccc3)CC2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is SEXVMSBDESDPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-13-12-17(14(2)21-13)18(20)19-10-8-16(9-11-19)15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone?
(2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 299.44 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 24660786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).