(2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

C19H21NO2S — CID 31826968

IUPAC(2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3cccs3)CC2)c(C)c1
InChIInChI=1S/C19H21NO2S/c1-13-5-6-16(14(2)12-13)18(21)15-7-9-20(10-8-15)19(22)17-4-3-11-23-17/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyJPYDHEHYXRXFTN-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.10
Rot. Bonds3

About (2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

(2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 31826968) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
PubChem CID31826968
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name(2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3cccs3)CC2)c(C)c1
InChIInChI=1S/C19H21NO2S/c1-13-5-6-16(14(2)12-13)18(21)15-7-9-20(10-8-15)19(22)17-4-3-11-23-17/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyJPYDHEHYXRXFTN-UHFFFAOYSA-N
XLogP4.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 82121250
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112
thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 29023726
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
[4-(3-methylphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25398339
[(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697957
[1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394347
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 84580370
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130
cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (CID 31826968) is (2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is Cc1ccc(C(=O)C2CCN(C(=O)c3cccs3)CC2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is JPYDHEHYXRXFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-13-5-6-16(14(2)12-13)18(21)15-7-9-20(10-8-15)19(22)17-4-3-11-23-17/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
(2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 327.45 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 31826968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).