(3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one

C23H30N4O3 — CID 25386274

IUPAC(3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one
SMILESO=C1NCCN(Cc2cccc3ccccc23)[C@@H]1CC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C23H30N4O3/c28-15-14-25-10-12-26(13-11-25)22(29)16-21-23(30)24-8-9-27(21)17-19-6-3-5-18-4-1-2-7-20(18)19/h1-7,21,28H,8-17H2,(H,24,30)/t21-/m1/s1
InChIKeyPJZRGKWATUHRDU-OAQYLSRUSA-N
MW410.52 g/mol
LogP0.67
Rot. Bonds6

About (3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one

(3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one (PubChem CID 25386274) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is (3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one
PubChem CID25386274
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name(3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one
SMILESO=C1NCCN(Cc2cccc3ccccc23)[C@@H]1CC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C23H30N4O3/c28-15-14-25-10-12-26(13-11-25)22(29)16-21-23(30)24-8-9-27(21)17-19-6-3-5-18-4-1-2-7-20(18)19/h1-7,21,28H,8-17H2,(H,24,30)/t21-/m1/s1
InChIKeyPJZRGKWATUHRDU-OAQYLSRUSA-N
XLogP0.67
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one with MolForge

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Related Compounds

(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95708042
(3S)-4-(naphthalen-1-ylmethyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazin-2-one
CID 25487210
N,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95714705
N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887158
N-(3-hydroxypropyl)-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95711384
N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728099
(3S)-4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95726510
4-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45201951
(3R)-3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 25277529
2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 45222826
methyl 4-[[[2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetyl]amino]methyl]benzoate
CID 25461128
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one?
The IUPAC name of (3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one (CID 25386274) is (3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one.
What is the SMILES notation for (3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one?
The canonical SMILES for (3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one is O=C1NCCN(Cc2cccc3ccccc23)[C@@H]1CC(=O)N1CCN(CCO)CC1.
What is the InChIKey of (3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one?
The InChIKey is PJZRGKWATUHRDU-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30N4O3/c28-15-14-25-10-12-26(13-11-25)22(29)16-21-23(30)24-8-9-27(21)17-19-6-3-5-18-4-1-2-7-20(18)19/h1-7,21,28H,8-17H2,(H,24,30)/t21-/m1/s1.
What are the key properties of (3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one?
(3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one has a molecular weight of 410.52 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one is sourced from PubChem (CID 25386274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).