1-(cyclopropanecarbonyl)piperidin-4-one

C9H13NO2 — CID 14994968

IUPAC1-(cyclopropanecarbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C9H13NO2/c11-8-3-5-10(6-4-8)9(12)7-1-2-7/h7H,1-6H2
InChIKeyWOWAAVPJNOLUDA-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.59
Rot. Bonds1

About 1-(cyclopropanecarbonyl)piperidin-4-one

1-(cyclopropanecarbonyl)piperidin-4-one (PubChem CID 14994968) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)piperidin-4-one
PubChem CID14994968
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(cyclopropanecarbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C9H13NO2/c11-8-3-5-10(6-4-8)9(12)7-1-2-7/h7H,1-6H2
InChIKeyWOWAAVPJNOLUDA-UHFFFAOYSA-N
XLogP0.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Diacetylpiperidine
CID 2777250
1-(Piperidin-1-yl)butane-1,3-dione
CID 246774
1-(Cyclopropylmethyl)piperidin-4-one
CID 18002181
1-Propanoylpiperidin-4-one
CID 18913727
1-Cyclopropylpiperidine-2,4-dione
CID 74892483
1-(3-Methylpiperidin-1-yl)butane-1,3-dione
CID 296334
1-Acetoacetyl-4-Methylpiperidine
CID 296335
Cyclopropyl(piperidin-1-yl)methanone
CID 3285746
cyclopropyl-[(3S)-3-fluoropiperidin-1-yl]methanone
CID 145214197
[(2S)-2-fluorocyclopropyl]-piperidin-1-ylmethanone
CID 154357198
1-Cyclopropanecarbonyl-4-fluoropiperidine
CID 164650406
1-(2,3,4-Trifluorobutanoyl)piperidin-4-one
CID 175506134

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)piperidin-4-one?
The IUPAC name of 1-(cyclopropanecarbonyl)piperidin-4-one (CID 14994968) is 1-(cyclopropanecarbonyl)piperidin-4-one.
What is the SMILES notation for 1-(cyclopropanecarbonyl)piperidin-4-one?
The canonical SMILES for 1-(cyclopropanecarbonyl)piperidin-4-one is O=C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)piperidin-4-one?
The InChIKey is WOWAAVPJNOLUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c11-8-3-5-10(6-4-8)9(12)7-1-2-7/h7H,1-6H2.
What are the key properties of 1-(cyclopropanecarbonyl)piperidin-4-one?
1-(cyclopropanecarbonyl)piperidin-4-one has a molecular weight of 167.21 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)piperidin-4-one is sourced from PubChem (CID 14994968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).