4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

C15H23N5O2 — CID 124696393

IUPAC4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(C(=O)[C@@H]3CCC[C@H](N)C3)CC2=O)cn1
InChIInChI=1S/C15H23N5O2/c1-18-9-13(8-17-18)20-6-5-19(10-14(20)21)15(22)11-3-2-4-12(16)7-11/h8-9,11-12H,2-7,10,16H2,1H3/t11-,12+/m1/s1
InChIKeyXYOWXAVLEVWYQS-NEPJUHHUSA-N
MW305.38 g/mol
LogP0.11
Rot. Bonds2

About 4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 124696393) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
PubChem CID124696393
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(C(=O)[C@@H]3CCC[C@H](N)C3)CC2=O)cn1
InChIInChI=1S/C15H23N5O2/c1-18-9-13(8-17-18)20-6-5-19(10-14(20)21)15(22)11-3-2-4-12(16)7-11/h8-9,11-12H,2-7,10,16H2,1H3/t11-,12+/m1/s1
InChIKeyXYOWXAVLEVWYQS-NEPJUHHUSA-N
XLogP0.11
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-aminocyclopentanecarbonyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 119793437
[(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 124696422
4-[(1S,3R)-3-aminocyclohexanecarbonyl]-1-methylpiperazin-2-one
CID 124509944
4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride
CID 120634332
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 119329129
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride
CID 119329128
N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 75408355
3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide
CID 119889300
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
N-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109434809
4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 154739436
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 97075643

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (CID 124696393) is 4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is Cn1cc(N2CCN(C(=O)[C@@H]3CCC[C@H](N)C3)CC2=O)cn1.
What is the InChIKey of 4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The InChIKey is XYOWXAVLEVWYQS-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-18-9-13(8-17-18)20-6-5-19(10-14(20)21)15(22)11-3-2-4-12(16)7-11/h8-9,11-12H,2-7,10,16H2,1H3/t11-,12+/m1/s1.
What are the key properties of 4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 305.38 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 124696393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).