[4-(3,3-dimethylbutyl)piperidin-4-yl]-thiophen-3-ylmethanone

C16H25NOS — CID 67232691

IUPAC[4-(3,3-dimethylbutyl)piperidin-4-yl]-thiophen-3-ylmethanone
SMILESCC(C)(C)CCC1(C(=O)c2ccsc2)CCNCC1
InChIInChI=1S/C16H25NOS/c1-15(2,3)5-6-16(7-9-17-10-8-16)14(18)13-4-11-19-12-13/h4,11-12,17H,5-10H2,1-3H3
InChIKeyXYVZLOWYEIWACG-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.13
Rot. Bonds4

About [4-(3,3-dimethylbutyl)piperidin-4-yl]-thiophen-3-ylmethanone

[4-(3,3-dimethylbutyl)piperidin-4-yl]-thiophen-3-ylmethanone (PubChem CID 67232691) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is [4-(3,3-dimethylbutyl)piperidin-4-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(3,3-dimethylbutyl)piperidin-4-yl]-thiophen-3-ylmethanone
PubChem CID67232691
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name[4-(3,3-dimethylbutyl)piperidin-4-yl]-thiophen-3-ylmethanone
SMILESCC(C)(C)CCC1(C(=O)c2ccsc2)CCNCC1
InChIInChI=1S/C16H25NOS/c1-15(2,3)5-6-16(7-9-17-10-8-16)14(18)13-4-11-19-12-13/h4,11-12,17H,5-10H2,1-3H3
InChIKeyXYVZLOWYEIWACG-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylcyclopentyl)-thiophen-3-ylmethanone
CID 114975197
[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone
CID 59744791
[4-(3,3-dimethylbutyl)piperidin-4-yl]-(1H-inden-2-yl)methanone
CID 158796337
(1-aminocyclobutyl)-thiophen-3-ylmethanone
CID 116598388
(4-propylphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569053
[4-[4-(methoxymethyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120624280
2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one
CID 103446763
furan-3-yl-(4-propylpiperidin-4-yl)methanone
CID 116569278
[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone
CID 91921686
4-methyl-N-thiophen-3-ylpiperidine-4-carboxamide
CID 66352171
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119401548
(3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569157

Frequently Asked Questions

What is the IUPAC name of [4-(3,3-dimethylbutyl)piperidin-4-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(3,3-dimethylbutyl)piperidin-4-yl]-thiophen-3-ylmethanone (CID 67232691) is [4-(3,3-dimethylbutyl)piperidin-4-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(3,3-dimethylbutyl)piperidin-4-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(3,3-dimethylbutyl)piperidin-4-yl]-thiophen-3-ylmethanone is CC(C)(C)CCC1(C(=O)c2ccsc2)CCNCC1.
What is the InChIKey of [4-(3,3-dimethylbutyl)piperidin-4-yl]-thiophen-3-ylmethanone?
The InChIKey is XYVZLOWYEIWACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-15(2,3)5-6-16(7-9-17-10-8-16)14(18)13-4-11-19-12-13/h4,11-12,17H,5-10H2,1-3H3.
What are the key properties of [4-(3,3-dimethylbutyl)piperidin-4-yl]-thiophen-3-ylmethanone?
[4-(3,3-dimethylbutyl)piperidin-4-yl]-thiophen-3-ylmethanone has a molecular weight of 279.45 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-dimethylbutyl)piperidin-4-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 67232691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).