(2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide

C20H33N5O2 — CID 125174632

IUPAC(2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide
SMILESCCCC[C@@H]1C(=O)N(C)CCN1C(=O)Nc1cc(C)nn1C1CCCCC1
InChIInChI=1S/C20H33N5O2/c1-4-5-11-17-19(26)23(3)12-13-24(17)20(27)21-18-14-15(2)22-25(18)16-9-7-6-8-10-16/h14,16-17H,4-13H2,1-3H3,(H,21,27)/t17-/m1/s1
InChIKeyFVLLGSPSKZCJME-QGZVFWFLSA-N
MW375.52 g/mol
LogP3.56
Rot. Bonds5

About (2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide

(2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 125174632) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is (2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide
PubChem CID125174632
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name(2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide
SMILESCCCC[C@@H]1C(=O)N(C)CCN1C(=O)Nc1cc(C)nn1C1CCCCC1
InChIInChI=1S/C20H33N5O2/c1-4-5-11-17-19(26)23(3)12-13-24(17)20(27)21-18-14-15(2)22-25(18)16-9-7-6-8-10-16/h14,16-17H,4-13H2,1-3H3,(H,21,27)/t17-/m1/s1
InChIKeyFVLLGSPSKZCJME-QGZVFWFLSA-N
XLogP3.56
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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CID 70757054
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(2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide
CID 97455455
(2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide
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(2S)-2-butyl-4-methyl-N-(4-methylsulfonylphenyl)-3-oxopiperazine-1-carboxamide
CID 97435864
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2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide
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(3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide
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2-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 46985100
methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate
CID 97436839
(1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 72880648
3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide (CID 125174632) is (2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide is CCCC[C@@H]1C(=O)N(C)CCN1C(=O)Nc1cc(C)nn1C1CCCCC1.
What is the InChIKey of (2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is FVLLGSPSKZCJME-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-4-5-11-17-19(26)23(3)12-13-24(17)20(27)21-18-14-15(2)22-25(18)16-9-7-6-8-10-16/h14,16-17H,4-13H2,1-3H3,(H,21,27)/t17-/m1/s1.
What are the key properties of (2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide?
(2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butyl-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-4-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 125174632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).