1-(4-pentan-3-ylphenyl)piperidin-2-one;propane

C19H31NO — CID 169104923

IUPAC1-(4-pentan-3-ylphenyl)piperidin-2-one;propane
SMILESCCC.CCC(CC)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C16H23NO.C3H8/c1-3-13(4-2)14-8-10-15(11-9-14)17-12-6-5-7-16(17)18;1-3-2/h8-11,13H,3-7,12H2,1-2H3;3H2,1-2H3
InChIKeyFGIGGXRGSXWYQT-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.52
Rot. Bonds4

About 1-(4-pentan-3-ylphenyl)piperidin-2-one;propane

1-(4-pentan-3-ylphenyl)piperidin-2-one;propane (PubChem CID 169104923) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(4-pentan-3-ylphenyl)piperidin-2-one;propane.

Molecular Properties

Compound Name1-(4-pentan-3-ylphenyl)piperidin-2-one;propane
PubChem CID169104923
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(4-pentan-3-ylphenyl)piperidin-2-one;propane
SMILESCCC.CCC(CC)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C16H23NO.C3H8/c1-3-13(4-2)14-8-10-15(11-9-14)17-12-6-5-7-16(17)18;1-3-2/h8-11,13H,3-7,12H2,1-2H3;3H2,1-2H3
InChIKeyFGIGGXRGSXWYQT-UHFFFAOYSA-N
XLogP5.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one
CID 79015875
2-[4-(2-oxopiperidin-1-yl)phenyl]pentanamide
CID 141059160
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-[(2R)-butan-2-yl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 42346693
1-(4-aminophenyl)piperidin-2-one
CID 11458178
1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one
CID 50987521
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
1-(4-aminophenyl)azepan-2-one
CID 58962781
1-[4-[2-(aminomethyl)-3-fluoro-1-methoxypropyl]phenyl]piperidin-2-one
CID 143418405
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
N-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 24547712
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentan-3-ylphenyl)piperidin-2-one;propane?
The IUPAC name of 1-(4-pentan-3-ylphenyl)piperidin-2-one;propane (CID 169104923) is 1-(4-pentan-3-ylphenyl)piperidin-2-one;propane.
What is the SMILES notation for 1-(4-pentan-3-ylphenyl)piperidin-2-one;propane?
The canonical SMILES for 1-(4-pentan-3-ylphenyl)piperidin-2-one;propane is CCC.CCC(CC)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 1-(4-pentan-3-ylphenyl)piperidin-2-one;propane?
The InChIKey is FGIGGXRGSXWYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.C3H8/c1-3-13(4-2)14-8-10-15(11-9-14)17-12-6-5-7-16(17)18;1-3-2/h8-11,13H,3-7,12H2,1-2H3;3H2,1-2H3.
What are the key properties of 1-(4-pentan-3-ylphenyl)piperidin-2-one;propane?
1-(4-pentan-3-ylphenyl)piperidin-2-one;propane has a molecular weight of 289.46 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentan-3-ylphenyl)piperidin-2-one;propane is sourced from PubChem (CID 169104923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).