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

C21H25N3O2S — CID 45247717

IUPAC2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CC1C(=O)NCCN1C1Cc2ccccc2C1)NCCc1cccs1
InChIInChI=1S/C21H25N3O2S/c25-20(22-8-7-18-6-3-11-27-18)14-19-21(26)23-9-10-24(19)17-12-15-4-1-2-5-16(15)13-17/h1-6,11,17,19H,7-10,12-14H2,(H,22,25)(H,23,26)
InChIKeyLHADLVSPHYXNFC-UHFFFAOYSA-N
MW383.52 g/mol
LogP1.76
Rot. Bonds6

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

2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 45247717) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID45247717
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CC1C(=O)NCCN1C1Cc2ccccc2C1)NCCc1cccs1
InChIInChI=1S/C21H25N3O2S/c25-20(22-8-7-18-6-3-11-27-18)14-19-21(26)23-9-10-24(19)17-12-15-4-1-2-5-16(15)13-17/h1-6,11,17,19H,7-10,12-14H2,(H,22,25)(H,23,26)
InChIKeyLHADLVSPHYXNFC-UHFFFAOYSA-N
XLogP1.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2-propoxyethyl)acetamide
CID 56914471
2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 42518473
2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 45192808
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-(3-methylpentan-3-yl)acetamide
CID 56895438
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide
CID 56901016
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
N-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 45218563
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 42308103
1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 3496710

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 45247717) is 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide is O=C(CC1C(=O)NCCN1C1Cc2ccccc2C1)NCCc1cccs1.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is LHADLVSPHYXNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c25-20(22-8-7-18-6-3-11-27-18)14-19-21(26)23-9-10-24(19)17-12-15-4-1-2-5-16(15)13-17/h1-6,11,17,19H,7-10,12-14H2,(H,22,25)(H,23,26).
What are the key properties of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 383.52 g/mol, XLogP of 1.76, 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-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 45247717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).