(3,3-dimethylpiperidin-1-yl)-[5-(oxan-4-yl)thiophen-3-yl]methanone

C17H25NO2S — CID 42644356

IUPAC(3,3-dimethylpiperidin-1-yl)-[5-(oxan-4-yl)thiophen-3-yl]methanone
SMILESCC1(C)CCCN(C(=O)c2csc(C3CCOCC3)c2)C1
InChIInChI=1S/C17H25NO2S/c1-17(2)6-3-7-18(12-17)16(19)14-10-15(21-11-14)13-4-8-20-9-5-13/h10-11,13H,3-9,12H2,1-2H3
InChIKeyHCDYWGSKDDWHQH-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.90
Rot. Bonds2

About (3,3-dimethylpiperidin-1-yl)-[5-(oxan-4-yl)thiophen-3-yl]methanone

(3,3-dimethylpiperidin-1-yl)-[5-(oxan-4-yl)thiophen-3-yl]methanone (PubChem CID 42644356) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is (3,3-dimethylpiperidin-1-yl)-[5-(oxan-4-yl)thiophen-3-yl]methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperidin-1-yl)-[5-(oxan-4-yl)thiophen-3-yl]methanone
PubChem CID42644356
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name(3,3-dimethylpiperidin-1-yl)-[5-(oxan-4-yl)thiophen-3-yl]methanone
SMILESCC1(C)CCCN(C(=O)c2csc(C3CCOCC3)c2)C1
InChIInChI=1S/C17H25NO2S/c1-17(2)6-3-7-18(12-17)16(19)14-10-15(21-11-14)13-4-8-20-9-5-13/h10-11,13H,3-9,12H2,1-2H3
InChIKeyHCDYWGSKDDWHQH-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(5-piperidin-4-ylthiophen-3-yl)methanone
CID 42644591
(3,3-dimethylpiperidin-1-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone
CID 79695902
(3,3-dimethylpyrrolidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 79036702
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone
CID 120815056
2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 120788464
1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 55165489
1-[4-[4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]thiophen-2-yl]piperidin-1-yl]ethanone
CID 86646703
(3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 119734697
[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120925779
(3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104615061
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 120816536
(4,4-dimethylazepan-1-yl)-[5-(1-methylpyrazol-4-yl)thiophen-3-yl]methanone
CID 70796647

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperidin-1-yl)-[5-(oxan-4-yl)thiophen-3-yl]methanone?
The IUPAC name of (3,3-dimethylpiperidin-1-yl)-[5-(oxan-4-yl)thiophen-3-yl]methanone (CID 42644356) is (3,3-dimethylpiperidin-1-yl)-[5-(oxan-4-yl)thiophen-3-yl]methanone.
What is the SMILES notation for (3,3-dimethylpiperidin-1-yl)-[5-(oxan-4-yl)thiophen-3-yl]methanone?
The canonical SMILES for (3,3-dimethylpiperidin-1-yl)-[5-(oxan-4-yl)thiophen-3-yl]methanone is CC1(C)CCCN(C(=O)c2csc(C3CCOCC3)c2)C1.
What is the InChIKey of (3,3-dimethylpiperidin-1-yl)-[5-(oxan-4-yl)thiophen-3-yl]methanone?
The InChIKey is HCDYWGSKDDWHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-17(2)6-3-7-18(12-17)16(19)14-10-15(21-11-14)13-4-8-20-9-5-13/h10-11,13H,3-9,12H2,1-2H3.
What are the key properties of (3,3-dimethylpiperidin-1-yl)-[5-(oxan-4-yl)thiophen-3-yl]methanone?
(3,3-dimethylpiperidin-1-yl)-[5-(oxan-4-yl)thiophen-3-yl]methanone has a molecular weight of 307.46 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperidin-1-yl)-[5-(oxan-4-yl)thiophen-3-yl]methanone is sourced from PubChem (CID 42644356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).