N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide

C20H25N3O2S — CID 25458386

IUPACN-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
SMILESCSCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1
InChIInChI=1S/C20H25N3O2S/c1-26-11-9-21-19(24)13-18-20(25)22-8-10-23(18)14-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12,18H,8-11,13-14H2,1H3,(H,21,24)(H,22,25)/t18-/m1/s1
InChIKeyQKGDGIIMFKYBJQ-GOSISDBHSA-N
MW371.51 g/mol
LogP2.01
Rot. Bonds7

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

N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 25458386) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID25458386
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
SMILESCSCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1
InChIInChI=1S/C20H25N3O2S/c1-26-11-9-21-19(24)13-18-20(25)22-8-10-23(18)14-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12,18H,8-11,13-14H2,1H3,(H,21,24)(H,22,25)/t18-/m1/s1
InChIKeyQKGDGIIMFKYBJQ-GOSISDBHSA-N
XLogP2.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95723548
N-[2-(3-fluorophenyl)ethyl]-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 42393367
N-(2-methylsulfanylethyl)-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 26398297
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide
CID 45172029
N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95725127
N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95725128
N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728025
2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propylacetamide
CID 56884384
3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide
CID 56895540
N-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95710109

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide (CID 25458386) is N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide is CSCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1.
What is the InChIKey of N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is QKGDGIIMFKYBJQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-26-11-9-21-19(24)13-18-20(25)22-8-10-23(18)14-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12,18H,8-11,13-14H2,1H3,(H,21,24)(H,22,25)/t18-/m1/s1.
What are the key properties of N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 371.51 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 25458386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).