N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide

C21H27N3O2 — CID 95725128

IUPACN-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1
InChIInChI=1S/C21H27N3O2/c1-15(2)23(3)20(25)13-19-21(26)22-10-11-24(19)14-16-8-9-17-6-4-5-7-18(17)12-16/h4-9,12,15,19H,10-11,13-14H2,1-3H3,(H,22,26)/t19-/m0/s1
InChIKeyXSFHKVOZSOMXKY-IBGZPJMESA-N
MW353.47 g/mol
LogP2.40
Rot. Bonds5

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

N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide (PubChem CID 95725128) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
PubChem CID95725128
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1
InChIInChI=1S/C21H27N3O2/c1-15(2)23(3)20(25)13-19-21(26)22-10-11-24(19)14-16-8-9-17-6-4-5-7-18(17)12-16/h4-9,12,15,19H,10-11,13-14H2,1-3H3,(H,22,26)/t19-/m0/s1
InChIKeyXSFHKVOZSOMXKY-IBGZPJMESA-N
XLogP2.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95725127
N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728025
N-methyl-2-[(2S)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propan-2-ylacetamide
CID 95720629
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-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95723548
N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887750
N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 45231630
N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide
CID 56888360
N-butyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56886045
2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
CID 56898233
N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 25458386

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide (CID 95725128) is N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide is CC(C)N(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1.
What is the InChIKey of N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
The InChIKey is XSFHKVOZSOMXKY-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(2)23(3)20(25)13-19-21(26)22-10-11-24(19)14-16-8-9-17-6-4-5-7-18(17)12-16/h4-9,12,15,19H,10-11,13-14H2,1-3H3,(H,22,26)/t19-/m0/s1.
What are the key properties of N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide has a molecular weight of 353.47 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 95725128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).