piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone

C13H17NOS — CID 110681274

IUPACpiperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone
SMILESO=C(C1CC1c1cccs1)N1CCCCC1
InChIInChI=1S/C13H17NOS/c15-13(14-6-2-1-3-7-14)11-9-10(11)12-5-4-8-16-12/h4-5,8,10-11H,1-3,6-7,9H2
InChIKeyVUXXDZAFDXPMIL-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.86
Rot. Bonds2

About piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone

piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone (PubChem CID 110681274) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone
PubChem CID110681274
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Namepiperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone
SMILESO=C(C1CC1c1cccs1)N1CCCCC1
InChIInChI=1S/C13H17NOS/c15-13(14-6-2-1-3-7-14)11-9-10(11)12-5-4-8-16-12/h4-5,8,10-11H,1-3,6-7,9H2
InChIKeyVUXXDZAFDXPMIL-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681285
(4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681313
ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate
CID 51896985
[4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 95967610
2-(2-chlorophenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51896786
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681327
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 51896777
1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
CID 75538102
2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51897971
[4-(4-phenyloxane-4-carbonyl)piperazin-1-yl]-[(1S,2S)-2-thiophen-2-ylcyclopropyl]methanone
CID 98915932
[4-(4-phenyloxane-4-carbonyl)piperazin-1-yl]-[(1R)-2-thiophen-2-ylcyclopropyl]methanone
CID 138391568
2-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51896921

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone?
The IUPAC name of piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone (CID 110681274) is piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone.
What is the SMILES notation for piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone?
The canonical SMILES for piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone is O=C(C1CC1c1cccs1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone?
The InChIKey is VUXXDZAFDXPMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c15-13(14-6-2-1-3-7-14)11-9-10(11)12-5-4-8-16-12/h4-5,8,10-11H,1-3,6-7,9H2.
What are the key properties of piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone?
piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone has a molecular weight of 235.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone is sourced from PubChem (CID 110681274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).