(3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one

C20H32N4O2 — CID 99930715

IUPAC(3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one
SMILESCCN1CCN(CCOc2ccccc2CN2CCNC(=O)[C@H]2C)CC1
InChIInChI=1S/C20H32N4O2/c1-3-22-10-12-23(13-11-22)14-15-26-19-7-5-4-6-18(19)16-24-9-8-21-20(25)17(24)2/h4-7,17H,3,8-16H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyYEFBJSYUZWAYOB-QGZVFWFLSA-N
MW360.50 g/mol
LogP1.02
Rot. Bonds7

About (3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one

(3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one (PubChem CID 99930715) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is (3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one
PubChem CID99930715
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name(3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one
SMILESCCN1CCN(CCOc2ccccc2CN2CCNC(=O)[C@H]2C)CC1
InChIInChI=1S/C20H32N4O2/c1-3-22-10-12-23(13-11-22)14-15-26-19-7-5-4-6-18(19)16-24-9-8-21-20(25)17(24)2/h4-7,17H,3,8-16H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyYEFBJSYUZWAYOB-QGZVFWFLSA-N
XLogP1.02
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine
CID 99941836
1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95723540
1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine
CID 2960969
2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide
CID 63605840
methyl 2-[(2-methyl-3-oxopiperazin-1-yl)methyl]benzoate
CID 82969734
(3S)-4-benzyl-3-methylpiperazin-2-one
CID 129362839
2-[1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 54848246
2-[1-[(2-heptoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 54848182
2-[1-[[2-(3-methylbutoxy)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 54848213
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one
CID 113278010
1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine
CID 124750935

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one?
The IUPAC name of (3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one (CID 99930715) is (3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for (3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one?
The canonical SMILES for (3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one is CCN1CCN(CCOc2ccccc2CN2CCNC(=O)[C@H]2C)CC1.
What is the InChIKey of (3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one?
The InChIKey is YEFBJSYUZWAYOB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-3-22-10-12-23(13-11-22)14-15-26-19-7-5-4-6-18(19)16-24-9-8-21-20(25)17(24)2/h4-7,17H,3,8-16H2,1-2H3,(H,21,25)/t17-/m1/s1.
What are the key properties of (3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one?
(3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one has a molecular weight of 360.50 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 99930715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).