2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide

C22H29N5O2 — CID 25375478

IUPAC2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCN(CCc1cnn(C)c1)C(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1
InChIInChI=1S/C22H29N5O2/c1-25(9-7-16-14-24-26(2)15-16)21(28)13-20-22(29)23-8-10-27(20)19-11-17-5-3-4-6-18(17)12-19/h3-6,14-15,19-20H,7-13H2,1-2H3,(H,23,29)/t20-/m1/s1
InChIKeyYYCOCGGICYUDBS-HXUWFJFHSA-N
MW395.51 g/mol
LogP0.78
Rot. Bonds6

About 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide

2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide (PubChem CID 25375478) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
PubChem CID25375478
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCN(CCc1cnn(C)c1)C(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1
InChIInChI=1S/C22H29N5O2/c1-25(9-7-16-14-24-26(2)15-16)21(28)13-20-22(29)23-8-10-27(20)19-11-17-5-3-4-6-18(17)12-19/h3-6,14-15,19-20H,7-13H2,1-2H3,(H,23,29)/t20-/m1/s1
InChIKeyYYCOCGGICYUDBS-HXUWFJFHSA-N
XLogP0.78
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide with MolForge

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Related Compounds

2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 25375269
N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 25455154
N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-(2-phenylethyl)acetamide
CID 26321988
4-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
CID 74229773
ethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate
CID 45208259
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
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 45247717
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-cyclopentyl-3-oxopiperazin-2-yl]-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylacetamide
CID 95716790
2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 42518473
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
CID 72898443

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide (CID 25375478) is 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide is CN(CCc1cnn(C)c1)C(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1.
What is the InChIKey of 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is YYCOCGGICYUDBS-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-25(9-7-16-14-24-26(2)15-16)21(28)13-20-22(29)23-8-10-27(20)19-11-17-5-3-4-6-18(17)12-19/h3-6,14-15,19-20H,7-13H2,1-2H3,(H,23,29)/t20-/m1/s1.
What are the key properties of 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 395.51 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 25375478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).