1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone

C24H37N3O3 — CID 55339075

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone
SMILESCC(C)CN1CCN(C(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)CC1
InChIInChI=1S/C24H37N3O3/c1-18(2)16-25-12-14-26(15-13-25)24(29)21-8-10-22(11-9-21)30-17-23(28)27-19(3)6-5-7-20(27)4/h8-11,18-20H,5-7,12-17H2,1-4H3
InChIKeyMUGDVTRAOJZYOR-UHFFFAOYSA-N
MW415.58 g/mol
LogP3.27
Rot. Bonds6

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

1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone (PubChem CID 55339075) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone
PubChem CID55339075
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone
SMILESCC(C)CN1CCN(C(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)CC1
InChIInChI=1S/C24H37N3O3/c1-18(2)16-25-12-14-26(15-13-25)24(29)21-8-10-22(11-9-21)30-17-23(28)27-19(3)6-5-7-20(27)4/h8-11,18-20H,5-7,12-17H2,1-4H3
InChIKeyMUGDVTRAOJZYOR-UHFFFAOYSA-N
XLogP3.27
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]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

1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one
CID 55921603
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(piperazine-1-carbonyl)phenoxy]ethanone;hydrochloride
CID 119400512
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-[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-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]phenoxy]ethanone
CID 95567886
2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 119377667
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343
(2S)-1-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoyl]pyrrolidine-2-carboxamide
CID 124830013
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]pyrrolidine-2-carboxamide
CID 71898935
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399
1-[[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]amino]-3-propan-2-ylthiourea
CID 42910897

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone (CID 55339075) is 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone is CC(C)CN1CCN(C(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)CC1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone?
The InChIKey is MUGDVTRAOJZYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-18(2)16-25-12-14-26(15-13-25)24(29)21-8-10-22(11-9-21)30-17-23(28)27-19(3)6-5-7-20(27)4/h8-11,18-20H,5-7,12-17H2,1-4H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone has a molecular weight of 415.58 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone is sourced from PubChem (CID 55339075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).