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

C23H27N3O3 — CID 24819288

IUPAC2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CC1C(=O)NCCN1C1Cc2ccccc2C1
InChIInChI=1S/C23H27N3O3/c1-29-21-9-5-4-8-18(21)15-25-22(27)14-20-23(28)24-10-11-26(20)19-12-16-6-2-3-7-17(16)13-19/h2-9,19-20H,10-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyLYOMBVGRHSJAIQ-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.67
Rot. Bonds6

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

2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 24819288) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID24819288
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CC1C(=O)NCCN1C1Cc2ccccc2C1
InChIInChI=1S/C23H27N3O3/c1-29-21-9-5-4-8-18(21)15-25-22(27)14-20-23(28)24-10-11-26(20)19-12-16-6-2-3-7-17(16)13-19/h2-9,19-20H,10-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyLYOMBVGRHSJAIQ-UHFFFAOYSA-N
XLogP1.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(S)-Amino-4-(2-benzyloxy-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11383468
(2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(4-methoxyphenyl)acetamide
CID 11649100
2-(3,5-Bis-trifluoromethyl-phenyl)-N-[2-(4-indan-2-yl-piperazin-1-yl)-2-(2-methoxy-phenyl)-ethyl]-acetamide
CID 21994352
2-[(2-methoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4876395
2-(S)-Amino-4-(2-methoxy-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11150893
(2S)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(4-methoxyphenyl)acetamide
CID 11591519
N-(2-cyclohex-1-en-1-ylethyl)-2-[1-(2-methoxybenzyl)-3-oxopiperazin-2-yl]acetamide
CID 16190251
2-(1-isobutyl-3-oxopiperazin-2-yl)-N-[(2-methoxy-1-naphthyl)methyl]acetamide
CID 16190581
N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(2-methoxybenzyl)-3-oxopiperazin-2-yl]acetamide
CID 16191228
N-(3-methoxybenzyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 23723948
N-cyclopentyl-2-[1-(2,3-dimethoxybenzyl)-3-oxo-2-piperazinyl]acetamide
CID 24790086
N-(5-fluoro-2-methylbenzyl)-1-(2-methoxybenzyl)-6-oxo-3-piperidinecarboxamide
CID 24790094

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 24819288) is 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CC1C(=O)NCCN1C1Cc2ccccc2C1.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is LYOMBVGRHSJAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-29-21-9-5-4-8-18(21)15-25-22(27)14-20-23(28)24-10-11-26(20)19-12-16-6-2-3-7-17(16)13-19/h2-9,19-20H,10-15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 24819288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).