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

C20H29N3O3 — CID 56914471

IUPAC2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-propoxyethyl)acetamide
SMILESCCCOCCNC(=O)CC1C(=O)NCCN1C1Cc2ccccc2C1
InChIInChI=1S/C20H29N3O3/c1-2-10-26-11-8-21-19(24)14-18-20(25)22-7-9-23(18)17-12-15-5-3-4-6-16(15)13-17/h3-6,17-18H,2,7-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyRANBVYAVLZAMEF-UHFFFAOYSA-N
MW359.47 g/mol
LogP0.89
Rot. Bonds8

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

2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-propoxyethyl)acetamide (PubChem CID 56914471) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-propoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-propoxyethyl)acetamide
PubChem CID56914471
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-propoxyethyl)acetamide
SMILESCCCOCCNC(=O)CC1C(=O)NCCN1C1Cc2ccccc2C1
InChIInChI=1S/C20H29N3O3/c1-2-10-26-11-8-21-19(24)14-18-20(25)22-7-9-23(18)17-12-15-5-3-4-6-16(15)13-17/h3-6,17-18H,2,7-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyRANBVYAVLZAMEF-UHFFFAOYSA-N
XLogP0.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.89
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

2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 42190859
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 45247717
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(3-methylpentan-3-yl)acetamide
CID 56895438
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 45213936
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide
CID 56901016
2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 42518471
2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 42518473
ethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate
CID 45208259
4-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
CID 74229773
N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide
CID 45225436
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide
CID 56900793
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 45170388

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-propoxyethyl)acetamide?
The IUPAC name of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-propoxyethyl)acetamide (CID 56914471) is 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-propoxyethyl)acetamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-propoxyethyl)acetamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-propoxyethyl)acetamide is CCCOCCNC(=O)CC1C(=O)NCCN1C1Cc2ccccc2C1.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-propoxyethyl)acetamide?
The InChIKey is RANBVYAVLZAMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-10-26-11-8-21-19(24)14-18-20(25)22-7-9-23(18)17-12-15-5-3-4-6-16(15)13-17/h3-6,17-18H,2,7-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-propoxyethyl)acetamide?
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-propoxyethyl)acetamide has a molecular weight of 359.47 g/mol, XLogP of 0.89, 8 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-propoxyethyl)acetamide is sourced from PubChem (CID 56914471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).