N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide

C20H25N3O3 — CID 95728025

IUPACN-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
SMILESCN(CCO)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1
InChIInChI=1S/C20H25N3O3/c1-22(10-11-24)19(25)13-18-20(26)21-8-9-23(18)14-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12,18,24H,8-11,13-14H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyBZEHQFOEACYRGJ-SFHVURJKSA-N
MW355.44 g/mol
LogP0.98
Rot. Bonds6

About N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide

N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 95728025) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID95728025
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
SMILESCN(CCO)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1
InChIInChI=1S/C20H25N3O3/c1-22(10-11-24)19(25)13-18-20(26)21-8-9-23(18)14-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12,18,24H,8-11,13-14H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyBZEHQFOEACYRGJ-SFHVURJKSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95710109
N-methyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-phenoxyethyl)acetamide
CID 45191747
N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95725128
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 95717108
N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95725127
N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 45231630
N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887750
2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 42305682
N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide
CID 56884358
N-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95723548
2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenoxyethyl)acetamide
CID 45223185
N-butyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56886045

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide (CID 95728025) is N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide is CN(CCO)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is BZEHQFOEACYRGJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-22(10-11-24)19(25)13-18-20(26)21-8-9-23(18)14-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12,18,24H,8-11,13-14H2,1H3,(H,21,26)/t18-/m0/s1.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 95728025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).