1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one

C16H24N2O — CID 115277223

IUPAC1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one
SMILESCCc1ccc(CCC(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C16H24N2O/c1-2-13-5-7-14(8-6-13)9-10-16(19)18-11-3-4-15(17)12-18/h5-8,15H,2-4,9-12,17H2,1H3
InChIKeyLFEAMXZDFRKVAJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.13
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one

1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one (PubChem CID 115277223) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one
PubChem CID115277223
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one
SMILESCCc1ccc(CCC(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C16H24N2O/c1-2-13-5-7-14(8-6-13)9-10-16(19)18-11-3-4-15(17)12-18/h5-8,15H,2-4,9-12,17H2,1H3
InChIKeyLFEAMXZDFRKVAJ-UHFFFAOYSA-N
XLogP2.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-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

methyl 4-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]benzoate
CID 167311588
1-(4-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one;hydrochloride
CID 119374555
1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one
CID 115277247
3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 110749751
1-(3-aminopyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119482522
1-[(3S)-3-aminopiperidin-1-yl]-4-(4-chlorophenyl)butan-1-one;hydrochloride
CID 154895459
1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride
CID 119381458
1-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119377862
1-(3-aminopiperidin-1-yl)-4-(4-pentylphenyl)butane-1,4-dione;hydrochloride
CID 119380450
1-[3-(bromomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 80660782
1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride
CID 119378404
1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 124628214

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one (CID 115277223) is 1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one is CCc1ccc(CCC(=O)N2CCCC(N)C2)cc1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one?
The InChIKey is LFEAMXZDFRKVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-13-5-7-14(8-6-13)9-10-16(19)18-11-3-4-15(17)12-18/h5-8,15H,2-4,9-12,17H2,1H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one?
1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one is sourced from PubChem (CID 115277223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).