N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide

C15H19N3O2 — CID 6931256

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide
SMILESO=C(C[C@@H]1NCCNC1=O)NC1Cc2ccccc2C1
InChIInChI=1S/C15H19N3O2/c19-14(9-13-15(20)17-6-5-16-13)18-12-7-10-3-1-2-4-11(10)8-12/h1-4,12-13,16H,5-9H2,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyWCERIWWJONMSNY-ZDUSSCGKSA-N
MW273.34 g/mol
LogP-0.25
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide

N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide (PubChem CID 6931256) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide
PubChem CID6931256
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide
SMILESO=C(C[C@@H]1NCCNC1=O)NC1Cc2ccccc2C1
InChIInChI=1S/C15H19N3O2/c19-14(9-13-15(20)17-6-5-16-13)18-12-7-10-3-1-2-4-11(10)8-12/h1-4,12-13,16H,5-9H2,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyWCERIWWJONMSNY-ZDUSSCGKSA-N
XLogP-0.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 940556
N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 41385144
2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide
CID 54794720
N-(2,3-dihydro-1H-inden-2-yl)-2-piperidin-3-ylacetamide
CID 107842647
N-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107842832
N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 54794658
N-(4-acetamidophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 7273614
N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 941045
2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 6462246
2-pyrrolidin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 62306443
benzyl 2-[(2S)-3-oxopiperazin-2-yl]acetate
CID 952327
2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54794685

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide (CID 6931256) is N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide is O=C(C[C@@H]1NCCNC1=O)NC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is WCERIWWJONMSNY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14(9-13-15(20)17-6-5-16-13)18-12-7-10-3-1-2-4-11(10)8-12/h1-4,12-13,16H,5-9H2,(H,17,20)(H,18,19)/t13-/m0/s1.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide?
N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 273.34 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 6931256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).