(2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide

C14H23N5O2 — CID 129358763

IUPAC(2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCC[C@@H](C)n1ncc(NC(=O)N2CCNC(=O)[C@H]2C)c1C
InChIInChI=1S/C14H23N5O2/c1-5-9(2)19-10(3)12(8-16-19)17-14(21)18-7-6-15-13(20)11(18)4/h8-9,11H,5-7H2,1-4H3,(H,15,20)(H,17,21)/t9-,11-/m1/s1
InChIKeyUVFVZRYTJBCRPU-MWLCHTKSSA-N
MW293.37 g/mol
LogP1.51
Rot. Bonds3

About (2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide

(2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 129358763) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide
PubChem CID129358763
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCC[C@@H](C)n1ncc(NC(=O)N2CCNC(=O)[C@H]2C)c1C
InChIInChI=1S/C14H23N5O2/c1-5-9(2)19-10(3)12(8-16-19)17-14(21)18-7-6-15-13(20)11(18)4/h8-9,11H,5-7H2,1-4H3,(H,15,20)(H,17,21)/t9-,11-/m1/s1
InChIKeyUVFVZRYTJBCRPU-MWLCHTKSSA-N
XLogP1.51
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(1-butan-2-yl-5-methylpyrazol-4-yl)-2-methyl-3-phenylpyrrolidine-1-carboxamide
CID 132971582
4-methyl-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]benzoic acid
CID 63607138
ethyl 4,5-difluoro-2-[[(2S)-2-methyl-3-oxopiperazine-1-carbonyl]amino]benzoate
CID 125135733
1-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea
CID 129359337
4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
CID 63606068
3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 81069306
N-(1-butan-2-yl-5-methylpyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 167970299
(2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 107839956
(2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 63607472
2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 115613470
3-methyl-4-(2-sulfanylpropanoyl)piperazin-2-one
CID 107029810
4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one
CID 63596109

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide (CID 129358763) is (2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide is CC[C@@H](C)n1ncc(NC(=O)N2CCNC(=O)[C@H]2C)c1C.
What is the InChIKey of (2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is UVFVZRYTJBCRPU-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-5-9(2)19-10(3)12(8-16-19)17-14(21)18-7-6-15-13(20)11(18)4/h8-9,11H,5-7H2,1-4H3,(H,15,20)(H,17,21)/t9-,11-/m1/s1.
What are the key properties of (2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide?
(2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 129358763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).