(2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone

C17H19NOS — CID 71786844

IUPAC(2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCC(c2cccs2)CC1
InChIInChI=1S/C17H19NOS/c1-13-5-2-3-6-15(13)17(19)18-10-8-14(9-11-18)16-7-4-12-20-16/h2-7,12,14H,8-11H2,1H3
InChIKeyUNBQQLFVWNTDOJ-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.08
Rot. Bonds2

About (2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone

(2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone (PubChem CID 71786844) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is (2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
PubChem CID71786844
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name(2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCC(c2cccs2)CC1
InChIInChI=1S/C17H19NOS/c1-13-5-2-3-6-15(13)17(19)18-10-8-14(9-11-18)16-7-4-12-20-16/h2-7,12,14H,8-11H2,1H3
InChIKeyUNBQQLFVWNTDOJ-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(7R)-1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl]-(2-methylphenyl)methanone
CID 129357176
(2-methylphenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798106
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
(5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 90522164
thiophen-3-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786843
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190
N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 46019312
N-[(1S)-2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 93197038
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone (CID 71786844) is (2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone is Cc1ccccc1C(=O)N1CCC(c2cccs2)CC1.
What is the InChIKey of (2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The InChIKey is UNBQQLFVWNTDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-13-5-2-3-6-15(13)17(19)18-10-8-14(9-11-18)16-7-4-12-20-16/h2-7,12,14H,8-11H2,1H3.
What are the key properties of (2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone?
(2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone has a molecular weight of 285.41 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71786844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).