N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide

C16H23N3O — CID 62671387

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide
SMILESCC1CNCCN1CC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23N3O/c1-12-10-17-7-8-19(12)11-16(20)18-15-6-5-13-3-2-4-14(13)9-15/h5-6,9,12,17H,2-4,7-8,10-11H2,1H3,(H,18,20)
InChIKeyNERSQYGWDFQWCD-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.41
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide (PubChem CID 62671387) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide
PubChem CID62671387
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide
SMILESCC1CNCCN1CC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23N3O/c1-12-10-17-7-8-19(12)11-16(20)18-15-6-5-13-3-2-4-14(13)9-15/h5-6,9,12,17H,2-4,7-8,10-11H2,1H3,(H,18,20)
InChIKeyNERSQYGWDFQWCD-UHFFFAOYSA-N
XLogP1.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672270
N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916490
N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916597
N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755602
methyl 2-[(2R)-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8562313
N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylacetamide
CID 1429488
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62014172
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperazine;hydrochloride
CID 119916469
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684923
N-(2,6-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713393
N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704678

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide (CID 62671387) is N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide is CC1CNCCN1CC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide?
The InChIKey is NERSQYGWDFQWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-10-17-7-8-19(12)11-16(20)18-15-6-5-13-3-2-4-14(13)9-15/h5-6,9,12,17H,2-4,7-8,10-11H2,1H3,(H,18,20).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide has a molecular weight of 273.38 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 62671387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).