1-(4-propylbenzoyl)piperidin-3-one

C15H19NO2 — CID 115277047

IUPAC1-(4-propylbenzoyl)piperidin-3-one
SMILESCCCc1ccc(C(=O)N2CCCC(=O)C2)cc1
InChIInChI=1S/C15H19NO2/c1-2-4-12-6-8-13(9-7-12)15(18)16-10-3-5-14(17)11-16/h6-9H,2-5,10-11H2,1H3
InChIKeyRWEQVEGLBKNMTG-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.44
Rot. Bonds3

About 1-(4-propylbenzoyl)piperidin-3-one

1-(4-propylbenzoyl)piperidin-3-one (PubChem CID 115277047) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(4-propylbenzoyl)piperidin-3-one.

Molecular Properties

Compound Name1-(4-propylbenzoyl)piperidin-3-one
PubChem CID115277047
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(4-propylbenzoyl)piperidin-3-one
SMILESCCCc1ccc(C(=O)N2CCCC(=O)C2)cc1
InChIInChI=1S/C15H19NO2/c1-2-4-12-6-8-13(9-7-12)15(18)16-10-3-5-14(17)11-16/h6-9H,2-5,10-11H2,1H3
InChIKeyRWEQVEGLBKNMTG-UHFFFAOYSA-N
XLogP2.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminobenzoyl)azepan-3-one
CID 91274921
(4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone
CID 121186842
(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one
CID 107676237
(3S)-1-(4-propylbenzoyl)piperidine-3-carboxylic acid
CID 98019288
tert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate
CID 52755296
(4-propylphenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816607
1-(pyridazine-4-carbonyl)piperidin-3-one
CID 104670556
1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one
CID 70767558
ethane;4-propylbenzoic acid
CID 91047964
1-(2-methylpyridine-4-carbonyl)piperidin-3-one
CID 106753061
N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813431

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylbenzoyl)piperidin-3-one?
The IUPAC name of 1-(4-propylbenzoyl)piperidin-3-one (CID 115277047) is 1-(4-propylbenzoyl)piperidin-3-one.
What is the SMILES notation for 1-(4-propylbenzoyl)piperidin-3-one?
The canonical SMILES for 1-(4-propylbenzoyl)piperidin-3-one is CCCc1ccc(C(=O)N2CCCC(=O)C2)cc1.
What is the InChIKey of 1-(4-propylbenzoyl)piperidin-3-one?
The InChIKey is RWEQVEGLBKNMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-4-12-6-8-13(9-7-12)15(18)16-10-3-5-14(17)11-16/h6-9H,2-5,10-11H2,1H3.
What are the key properties of 1-(4-propylbenzoyl)piperidin-3-one?
1-(4-propylbenzoyl)piperidin-3-one has a molecular weight of 245.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylbenzoyl)piperidin-3-one is sourced from PubChem (CID 115277047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).