2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide

C15H25N5O2 — CID 56908582

IUPAC2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
SMILESCC(C)CN1CCN(CC(=O)Nc2cnn(C)c2)C(C)C1=O
InChIInChI=1S/C15H25N5O2/c1-11(2)8-20-6-5-19(12(3)15(20)22)10-14(21)17-13-7-16-18(4)9-13/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,17,21)
InChIKeyMJAPQEHPHWNTMW-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.55
Rot. Bonds5

About 2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide

2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 56908582) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID56908582
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
SMILESCC(C)CN1CCN(CC(=O)Nc2cnn(C)c2)C(C)C1=O
InChIInChI=1S/C15H25N5O2/c1-11(2)8-20-6-5-19(12(3)15(20)22)10-14(21)17-13-7-16-18(4)9-13/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,17,21)
InChIKeyMJAPQEHPHWNTMW-UHFFFAOYSA-N
XLogP0.55
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpyrazol-4-yl)-2-piperazin-1-ylacetamide
CID 43535278
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32609841
N-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide
CID 95719460
ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 178157560
2-[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 71692034
(2R)-2-amino-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide
CID 93104460
3-[6-hydroxy-4-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]propanoic acid
CID 74232851
4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide
CID 155981643
2-[6-(2-hydroxyethoxy)-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 156608996
2-[2-(1H-indol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 155961802
N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 47284219
N-(2-methylpropyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95346557

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide (CID 56908582) is 2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide is CC(C)CN1CCN(CC(=O)Nc2cnn(C)c2)C(C)C1=O.
What is the InChIKey of 2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is MJAPQEHPHWNTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11(2)8-20-6-5-19(12(3)15(20)22)10-14(21)17-13-7-16-18(4)9-13/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,17,21).
What are the key properties of 2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 307.40 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 56908582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).