1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one

C16H24N2O2 — CID 43212279

IUPAC1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one
SMILESCCCOc1ccc(C(N)CN2CCCCC2=O)cc1
InChIInChI=1S/C16H24N2O2/c1-2-11-20-14-8-6-13(7-9-14)15(17)12-18-10-4-3-5-16(18)19/h6-9,15H,2-5,10-12,17H2,1H3
InChIKeyRYKOZJQFQQLJJR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.49
Rot. Bonds6

About 1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one

1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one (PubChem CID 43212279) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one
PubChem CID43212279
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one
SMILESCCCOc1ccc(C(N)CN2CCCCC2=O)cc1
InChIInChI=1S/C16H24N2O2/c1-2-11-20-14-8-6-13(7-9-14)15(17)12-18-10-4-3-5-16(18)19/h6-9,15H,2-5,10-12,17H2,1H3
InChIKeyRYKOZJQFQQLJJR-UHFFFAOYSA-N
XLogP2.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-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-amino-2-(4-ethylphenyl)ethyl]piperidin-2-one
CID 43212282
1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one
CID 18070971
1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]piperidin-2-one
CID 43212281
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820
1-[2-amino-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 62489955
1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one
CID 43212285
2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 60973388
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
CID 94689193
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 83219330
1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one
CID 43212302
1-[2-amino-2-(4-propoxyphenyl)ethyl]pyrimidin-2-one
CID 16795429

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one?
The IUPAC name of 1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one (CID 43212279) is 1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one is CCCOc1ccc(C(N)CN2CCCCC2=O)cc1.
What is the InChIKey of 1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one?
The InChIKey is RYKOZJQFQQLJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-11-20-14-8-6-13(7-9-14)15(17)12-18-10-4-3-5-16(18)19/h6-9,15H,2-5,10-12,17H2,1H3.
What are the key properties of 1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one?
1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one is sourced from PubChem (CID 43212279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).