1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one

C14H18N2O2 — CID 83972010

IUPAC1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one
SMILESCC(N)C(=O)c1ccc(N2CCC(=O)CC2)cc1
InChIInChI=1S/C14H18N2O2/c1-10(15)14(18)11-2-4-12(5-3-11)16-8-6-13(17)7-9-16/h2-5,10H,6-9,15H2,1H3
InChIKeyGUXWJODBFMZIBB-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.39
Rot. Bonds3

About 1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one

1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one (PubChem CID 83972010) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one.

Molecular Properties

Compound Name1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one
PubChem CID83972010
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one
SMILESCC(N)C(=O)c1ccc(N2CCC(=O)CC2)cc1
InChIInChI=1S/C14H18N2O2/c1-10(15)14(18)11-2-4-12(5-3-11)16-8-6-13(17)7-9-16/h2-5,10H,6-9,15H2,1H3
InChIKeyGUXWJODBFMZIBB-UHFFFAOYSA-N
XLogP1.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]propan-1-one
CID 83971999
1-(4-propanoylphenyl)piperidin-4-one
CID 83779934
ethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate
CID 85189307
1-(4-propan-2-ylphenyl)pyrrolidin-3-one
CID 43314770
2-amino-1-(4-butan-2-ylphenyl)propan-1-one
CID 82048669
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
4-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]benzoic acid
CID 4741691
4-(4-oxopiperidin-1-yl)benzaldehyde
CID 12717443
2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868636
1-[4-[(E)-2-hydroxyethenyl]phenyl]piperidin-4-one
CID 22973667
4-[4-(4-carboxyphenyl)piperazin-1-yl]benzoic acid
CID 86748187
2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one
CID 83971788

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one?
The IUPAC name of 1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one (CID 83972010) is 1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one.
What is the SMILES notation for 1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one?
The canonical SMILES for 1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one is CC(N)C(=O)c1ccc(N2CCC(=O)CC2)cc1.
What is the InChIKey of 1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one?
The InChIKey is GUXWJODBFMZIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(15)14(18)11-2-4-12(5-3-11)16-8-6-13(17)7-9-16/h2-5,10H,6-9,15H2,1H3.
What are the key properties of 1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one?
1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one has a molecular weight of 246.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one is sourced from PubChem (CID 83972010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).