N,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide

C21H27N3O4 — CID 95714705

IUPACN,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
SMILESO=C1NCCN(Cc2cccc3ccccc23)[C@@H]1CC(=O)N(CCO)CCO
InChIInChI=1S/C21H27N3O4/c25-12-10-23(11-13-26)20(27)14-19-21(28)22-8-9-24(19)15-17-6-3-5-16-4-1-2-7-18(16)17/h1-7,19,25-26H,8-15H2,(H,22,28)/t19-/m1/s1
InChIKeyQOBSRCZQAOLJRX-LJQANCHMSA-N
MW385.46 g/mol
LogP0.34
Rot. Bonds8

About N,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide

N,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 95714705) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID95714705
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
SMILESO=C1NCCN(Cc2cccc3ccccc23)[C@@H]1CC(=O)N(CCO)CCO
InChIInChI=1S/C21H27N3O4/c25-12-10-23(11-13-26)20(27)14-19-21(28)22-8-9-24(19)15-17-6-3-5-16-4-1-2-7-18(16)17/h1-7,19,25-26H,8-15H2,(H,22,28)/t19-/m1/s1
InChIKeyQOBSRCZQAOLJRX-LJQANCHMSA-N
XLogP0.34
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728099
N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887158
(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95708042
N-(3-hydroxypropyl)-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95711384
(3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one
CID 25386274
N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 45190242
2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 45222826
N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728025
2-[(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(2-hydroxyethyl)acetamide
CID 95719798
methyl 4-[[[2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetyl]amino]methyl]benzoate
CID 25461128
(3S)-4-(naphthalen-1-ylmethyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazin-2-one
CID 25487210
N,N-diethyl-2-[(2S)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 95723381

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide (CID 95714705) is N,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide is O=C1NCCN(Cc2cccc3ccccc23)[C@@H]1CC(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is QOBSRCZQAOLJRX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27N3O4/c25-12-10-23(11-13-26)20(27)14-19-21(28)22-8-9-24(19)15-17-6-3-5-16-4-1-2-7-18(16)17/h1-7,19,25-26H,8-15H2,(H,22,28)/t19-/m1/s1.
What are the key properties of N,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
N,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 95714705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).