(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

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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).