[4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone

C16H25NOS — CID 155457468

IUPAC[4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCCCC2)sc1C(C)C
InChIInChI=1S/C16H25NOS/c1-11(2)13-10-14(19-15(13)12(3)4)16(18)17-8-6-5-7-9-17/h10-12H,5-9H2,1-4H3
InChIKeyVPTUIQNIHHUOEB-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.62
Rot. Bonds3

About [4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone

[4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone (PubChem CID 155457468) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is [4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone
PubChem CID155457468
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name[4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCCCC2)sc1C(C)C
InChIInChI=1S/C16H25NOS/c1-11(2)13-10-14(19-15(13)12(3)4)16(18)17-8-6-5-7-9-17/h10-12H,5-9H2,1-4H3
InChIKeyVPTUIQNIHHUOEB-UHFFFAOYSA-N
XLogP4.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone
CID 155457670
[4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone
CID 157109144
azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 60634850
(4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 164882454
(4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 162420392
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
(2-amino-5-propan-2-ylthiophen-3-yl)-pyrrolidin-1-ylmethanone
CID 43367331
1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride
CID 119416965
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyrrolidin-1-yl)methanone
CID 60644343
azepan-1-yl-(4-bromothiophen-2-yl)methanone
CID 2225278
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
1,4-diazepan-1-yl-(4,5-dibromothiophen-2-yl)methanone
CID 78981250

Frequently Asked Questions

What is the IUPAC name of [4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone (CID 155457468) is [4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone is CC(C)c1cc(C(=O)N2CCCCC2)sc1C(C)C.
What is the InChIKey of [4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone?
The InChIKey is VPTUIQNIHHUOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-11(2)13-10-14(19-15(13)12(3)4)16(18)17-8-6-5-7-9-17/h10-12H,5-9H2,1-4H3.
What are the key properties of [4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone?
[4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone has a molecular weight of 279.45 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 155457468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).