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

C21H27N3O2 — CID 95723548

IUPACN-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1
InChIInChI=1S/C21H27N3O2/c1-15(2)13-23-20(25)12-19-21(26)22-9-10-24(19)14-16-7-8-17-5-3-4-6-18(17)11-16/h3-8,11,15,19H,9-10,12-14H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1
InChIKeyDBBGMPOLNJIDLC-IBGZPJMESA-N
MW353.47 g/mol
LogP2.30
Rot. Bonds6

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

N-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 95723548) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID95723548
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1
InChIInChI=1S/C21H27N3O2/c1-15(2)13-23-20(25)12-19-21(26)22-9-10-24(19)14-16-7-8-17-5-3-4-6-18(17)11-16/h3-8,11,15,19H,9-10,12-14H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1
InChIKeyDBBGMPOLNJIDLC-IBGZPJMESA-N
XLogP2.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887750
N-butyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56886045
N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 25458386
N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95725128
N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95725127
N-[2-(3-fluorophenyl)ethyl]-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 42393367
N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728025
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
2-[3-oxo-1-[(3-propan-2-yloxyphenyl)methyl]piperazin-2-yl]acetohydrazide
CID 54847941
methyl 4-[[[2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetyl]amino]methyl]benzoate
CID 25461128
N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 45231630

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide (CID 95723548) is N-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide is CC(C)CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1.
What is the InChIKey of N-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is DBBGMPOLNJIDLC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(2)13-23-20(25)12-19-21(26)22-9-10-24(19)14-16-7-8-17-5-3-4-6-18(17)11-16/h3-8,11,15,19H,9-10,12-14H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1.
What are the key properties of N-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
N-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 95723548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).