(4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone

C15H23NOS — CID 67965088

IUPAC(4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)C(C(C)C)C2)s1
InChIInChI=1S/C15H23NOS/c1-10(2)13-9-16(8-7-11(13)3)15(17)14-6-5-12(4)18-14/h5-6,10-11,13H,7-9H2,1-4H3
InChIKeyZOPOYNPMKXLSRM-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.81
Rot. Bonds2

About (4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone

(4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone (PubChem CID 67965088) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is (4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
PubChem CID67965088
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name(4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)C(C(C)C)C2)s1
InChIInChI=1S/C15H23NOS/c1-10(2)13-9-16(8-7-11(13)3)15(17)14-6-5-12(4)18-14/h5-6,10-11,13H,7-9H2,1-4H3
InChIKeyZOPOYNPMKXLSRM-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 114960623
1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918252
[3-(methylamino)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 119413764
N-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 97071473
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
2-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116681533
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-(4-methyl-3-propan-2-ylpiperidin-1-yl)methanone
CID 155205888
(4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 99798313
[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 95159159
(2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 18711915

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone (CID 67965088) is (4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCC(C)C(C(C)C)C2)s1.
What is the InChIKey of (4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is ZOPOYNPMKXLSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-10(2)13-9-16(8-7-11(13)3)15(17)14-6-5-12(4)18-14/h5-6,10-11,13H,7-9H2,1-4H3.
What are the key properties of (4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone?
(4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 265.42 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 67965088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).