2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone

C21H31N3O3 — CID 119377667

IUPAC2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)COc1ccc(C(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C21H31N3O3/c1-15-5-3-6-16(2)24(15)20(25)14-27-19-10-8-17(9-11-19)21(26)23-12-4-7-18(22)13-23/h8-11,15-16,18H,3-7,12-14,22H2,1-2H3
InChIKeyJARJGAHFGYVPNU-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.42
Rot. Bonds4

About 2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone

2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 119377667) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID119377667
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)COc1ccc(C(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C21H31N3O3/c1-15-5-3-6-16(2)24(15)20(25)14-27-19-10-8-17(9-11-19)21(26)23-12-4-7-18(22)13-23/h8-11,15-16,18H,3-7,12-14,22H2,1-2H3
InChIKeyJARJGAHFGYVPNU-UHFFFAOYSA-N
XLogP2.42
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone 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

2-[4-(4-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119373285
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(piperazine-1-carbonyl)phenoxy]ethanone;hydrochloride
CID 119400512
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone
CID 119560215
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone;hydrochloride
CID 119560214
1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one
CID 55921603
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]pyrrolidine-2-carboxamide
CID 71898935
(2S)-1-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoyl]pyrrolidine-2-carboxamide
CID 124830013
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone
CID 55339075
2-[4-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 55948526
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]phenoxy]ethanone
CID 95567886
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone (CID 119377667) is 2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone is CC1CCCC(C)N1C(=O)COc1ccc(C(=O)N2CCCC(N)C2)cc1.
What is the InChIKey of 2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is JARJGAHFGYVPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-15-5-3-6-16(2)24(15)20(25)14-27-19-10-8-17(9-11-19)21(26)23-12-4-7-18(22)13-23/h8-11,15-16,18H,3-7,12-14,22H2,1-2H3.
What are the key properties of 2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 373.50 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 119377667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).