1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one

C15H25NO — CID 106655243

IUPAC1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one
SMILESO=C(CCC1CCCNC1)C1=CCCCCC1
InChIInChI=1S/C15H25NO/c17-15(14-7-3-1-2-4-8-14)10-9-13-6-5-11-16-12-13/h7,13,16H,1-6,8-12H2
InChIKeyMWNSBGOPWQHBSO-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.23
Rot. Bonds4

About 1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one

1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one (PubChem CID 106655243) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one
PubChem CID106655243
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one
SMILESO=C(CCC1CCCNC1)C1=CCCCCC1
InChIInChI=1S/C15H25NO/c17-15(14-7-3-1-2-4-8-14)10-9-13-6-5-11-16-12-13/h7,13,16H,1-6,8-12H2
InChIKeyMWNSBGOPWQHBSO-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cycloocten-1-yl)-2-piperidin-3-ylethanone
CID 106655260
3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one
CID 62078476
2-cyclohexyl-1-(cycloocten-1-yl)ethanone
CID 106655870
cyclobutyl 3-piperidin-3-ylpropanoate
CID 62217581
1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one
CID 116562391
1-(2,6-difluoro-3-methylphenyl)-3-piperidin-3-ylpropan-1-one
CID 116562387
N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-3-ylacetamide
CID 55105005
1-(4-bromophenyl)-4-piperidin-3-ylbutan-2-one
CID 116562297
3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride
CID 24843603
1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one
CID 103450416
1-(2,3-dihydrofuran-5-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 102652602
cycloocten-1-yl(pyrrolidin-2-yl)methanone
CID 106655084

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one (CID 106655243) is 1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one is O=C(CCC1CCCNC1)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one?
The InChIKey is MWNSBGOPWQHBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c17-15(14-7-3-1-2-4-8-14)10-9-13-6-5-11-16-12-13/h7,13,16H,1-6,8-12H2.
What are the key properties of 1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one?
1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one has a molecular weight of 235.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 106655243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).