1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one

C16H24N2O2 — CID 119380669

IUPAC1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one
SMILESCCC(Oc1cccc(C)c1)C(=O)N1CCCC(N)C1
InChIInChI=1S/C16H24N2O2/c1-3-15(20-14-8-4-6-12(2)10-14)16(19)18-9-5-7-13(17)11-18/h4,6,8,10,13,15H,3,5,7,9,11,17H2,1-2H3
InChIKeyFWZNHNKKFYMVCG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.10
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one

1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one (PubChem CID 119380669) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one
PubChem CID119380669
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one
SMILESCCC(Oc1cccc(C)c1)C(=O)N1CCCC(N)C1
InChIInChI=1S/C16H24N2O2/c1-3-15(20-14-8-4-6-12(2)10-14)16(19)18-9-5-7-13(17)11-18/h4,6,8,10,13,15H,3,5,7,9,11,17H2,1-2H3
InChIKeyFWZNHNKKFYMVCG-UHFFFAOYSA-N
XLogP2.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-methylphenoxy)butanoyl]piperidine-3-carbohydrazide
CID 54793901
1-(4-benzylpiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one
CID 43904563
ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638519
(2R)-2-(2,5-dimethylphenoxy)-1-[(3S)-3-methylpiperidin-1-yl]butan-1-one
CID 92676689
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one
CID 28633499
2-(3-methylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 46771493
1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone
CID 119378819
(2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 95119203
(2S)-2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]butan-1-one
CID 28579047
2-(3-methylphenoxy)butanoic acid
CID 4778922
1-[2-(3-methylphenoxy)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120977558
(3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide
CID 97025727

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one (CID 119380669) is 1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one is CCC(Oc1cccc(C)c1)C(=O)N1CCCC(N)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one?
The InChIKey is FWZNHNKKFYMVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-15(20-14-8-4-6-12(2)10-14)16(19)18-9-5-7-13(17)11-18/h4,6,8,10,13,15H,3,5,7,9,11,17H2,1-2H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one?
1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one is sourced from PubChem (CID 119380669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).