N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide

C16H25N5O2 — CID 75408355

IUPACN-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
SMILESCC1CCC(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1
InChIInChI=1S/C16H25N5O2/c1-12-3-5-13(6-4-12)18-16(23)20-7-8-21(15(22)11-20)14-9-17-19(2)10-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,23)
InChIKeyOAOWMJRQCISXRS-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.36
Rot. Bonds2

About N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide

N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide (PubChem CID 75408355) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
PubChem CID75408355
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
SMILESCC1CCC(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1
InChIInChI=1S/C16H25N5O2/c1-12-3-5-13(6-4-12)18-16(23)20-7-8-21(15(22)11-20)14-9-17-19(2)10-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,23)
InChIKeyOAOWMJRQCISXRS-UHFFFAOYSA-N
XLogP1.36
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]acetamide
CID 109436435
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 97075643
N'-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109436029
N-cyclopropyl-4-[[ethylamino-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]methylidene]amino]butanamide
CID 109433467
N-cyclopentyl-3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]propanamide
CID 109432847
4-(3-aminocyclopentanecarbonyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 119793437
4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride
CID 120634332
N'-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109436457
N'-methyl-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109436039
N-ethyl-N'-[4-(4-methylpiperidin-1-yl)butyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109436674
N-ethyl-N'-[3-(4-methylpiperidin-1-yl)propyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109436171
4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 124696393

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide (CID 75408355) is N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide is CC1CCC(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
The InChIKey is OAOWMJRQCISXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-12-3-5-13(6-4-12)18-16(23)20-7-8-21(15(22)11-20)14-9-17-19(2)10-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,23).
What are the key properties of N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 75408355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).