2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide

C12H19N5O2 — CID 51597136

IUPAC2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)C[C@H]2C(=O)NCCN2C)n[nH]1
InChIInChI=1S/C12H19N5O2/c1-8-5-9(16-15-8)7-14-11(18)6-10-12(19)13-3-4-17(10)2/h5,10H,3-4,6-7H2,1-2H3,(H,13,19)(H,14,18)(H,15,16)/t10-/m0/s1
InChIKeyKSWDSTCJUCDCRS-JTQLQIEISA-N
MW265.32 g/mol
LogP-0.85
Rot. Bonds4

About 2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide

2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide (PubChem CID 51597136) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
PubChem CID51597136
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)C[C@H]2C(=O)NCCN2C)n[nH]1
InChIInChI=1S/C12H19N5O2/c1-8-5-9(16-15-8)7-14-11(18)6-10-12(19)13-3-4-17(10)2/h5,10H,3-4,6-7H2,1-2H3,(H,13,19)(H,14,18)(H,15,16)/t10-/m0/s1
InChIKeyKSWDSTCJUCDCRS-JTQLQIEISA-N
XLogP-0.85
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide
CID 95726259
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide
CID 56911291
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
CID 95716955
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]acetamide
CID 45186541
N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 42245676
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
(3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 95728262
2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
CID 126444704
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 95132319
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95126653
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 45210398

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide (CID 51597136) is 2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide is Cc1cc(CNC(=O)C[C@H]2C(=O)NCCN2C)n[nH]1.
What is the InChIKey of 2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide?
The InChIKey is KSWDSTCJUCDCRS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8-5-9(16-15-8)7-14-11(18)6-10-12(19)13-3-4-17(10)2/h5,10H,3-4,6-7H2,1-2H3,(H,13,19)(H,14,18)(H,15,16)/t10-/m0/s1.
What are the key properties of 2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide?
2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide has a molecular weight of 265.32 g/mol, XLogP of -0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 51597136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).