[1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone

C15H19NO2S — CID 110394397

IUPAC[1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C15H19NO2S/c17-14(13-5-2-10-19-13)11-6-8-16(9-7-11)15(18)12-3-1-4-12/h2,5,10-12H,1,3-4,6-9H2
InChIKeyVVCRMNCYKKDFJA-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.97
Rot. Bonds3

About [1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone

[1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone (PubChem CID 110394397) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is [1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone
PubChem CID110394397
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name[1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C15H19NO2S/c17-14(13-5-2-10-19-13)11-6-8-16(9-7-11)15(18)12-3-1-4-12/h2,5,10-12H,1,3-4,6-9H2
InChIKeyVVCRMNCYKKDFJA-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46454753
[1-(morpholine-4-carbonyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394387
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 8732831
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 53016414
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
cyclobutyl-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 56510993
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27261466
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 78894079
[4-(4-hydroxyphenyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 51327495
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 86906764
(2-methylpiperidin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 17224089

Frequently Asked Questions

What is the IUPAC name of [1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone (CID 110394397) is [1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of [1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone?
The InChIKey is VVCRMNCYKKDFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c17-14(13-5-2-10-19-13)11-6-8-16(9-7-11)15(18)12-3-1-4-12/h2,5,10-12H,1,3-4,6-9H2.
What are the key properties of [1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone?
[1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone has a molecular weight of 277.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110394397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).