(2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone

C21H33N3O2 — CID 95111716

IUPAC(2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCCC[C@H]1CCN1CCN(C)CC1
InChIInChI=1S/C21H33N3O2/c1-3-26-20-10-5-4-9-19(20)21(25)24-12-7-6-8-18(24)11-13-23-16-14-22(2)15-17-23/h4-5,9-10,18H,3,6-8,11-17H2,1-2H3/t18-/m0/s1
InChIKeyYCZJUEVIJFFQLZ-SFHVURJKSA-N
MW359.51 g/mol
LogP2.72
Rot. Bonds6

About (2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone

(2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone (PubChem CID 95111716) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
PubChem CID95111716
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name(2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCCC[C@H]1CCN1CCN(C)CC1
InChIInChI=1S/C21H33N3O2/c1-3-26-20-10-5-4-9-19(20)21(25)24-12-7-6-8-18(24)11-13-23-16-14-22(2)15-17-23/h4-5,9-10,18H,3,6-8,11-17H2,1-2H3/t18-/m0/s1
InChIKeyYCZJUEVIJFFQLZ-SFHVURJKSA-N
XLogP2.72
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone 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-(2-bromoethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 80665458
(2-methylphenyl)-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 53193412
1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 96574158
(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421165
(2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249422
[2-(3-bromopropyl)pyrrolidin-1-yl]-(2-ethoxyphenyl)methanone
CID 80675629
(2-methylphenyl)-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29339285
(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776068
[2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 125169892
(2-ethoxyphenyl)-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95304741
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(2-chlorophenyl)methanone
CID 23607111
(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone (CID 95111716) is (2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone is CCOc1ccccc1C(=O)N1CCCC[C@H]1CCN1CCN(C)CC1.
What is the InChIKey of (2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
The InChIKey is YCZJUEVIJFFQLZ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-3-26-20-10-5-4-9-19(20)21(25)24-12-7-6-8-18(24)11-13-23-16-14-22(2)15-17-23/h4-5,9-10,18H,3,6-8,11-17H2,1-2H3/t18-/m0/s1.
What are the key properties of (2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
(2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone has a molecular weight of 359.51 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95111716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).