4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride

C15H24ClN5O2 — CID 120634332

IUPAC4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CCN1.Cl
InChIInChI=1S/C15H23N5O2.ClH/c1-11-7-12(3-4-16-11)15(22)19-5-6-20(14(21)10-19)13-8-17-18(2)9-13;/h8-9,11-12,16H,3-7,10H2,1-2H3;1H/t11-,12-;/m0./s1
InChIKeyVVWKYOJKRWEYDC-FXMYHANSSA-N
MW341.84 g/mol
LogP0.41
Rot. Bonds2

About 4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride

4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride (PubChem CID 120634332) has the molecular formula C15H24ClN5O2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride
PubChem CID120634332
Molecular FormulaC15H24ClN5O2
Molecular Weight341.84 g/mol
Exact Mass341.16
IUPAC Name4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CCN1.Cl
InChIInChI=1S/C15H23N5O2.ClH/c1-11-7-12(3-4-16-11)15(22)19-5-6-20(14(21)10-19)13-8-17-18(2)9-13;/h8-9,11-12,16H,3-7,10H2,1-2H3;1H/t11-,12-;/m0./s1
InChIKeyVVWKYOJKRWEYDC-FXMYHANSSA-N
XLogP0.41
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride with MolForge

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Related Compounds

4-(3-aminocyclopentanecarbonyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 119793437
4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 124696393
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
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 119329129
N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 75408355
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone
CID 106314070
1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one
CID 127850919
1,3-dihydroisoindol-2-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120631484
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 154739436
[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637111
[4-(4-methylbenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120620493

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride?
The IUPAC name of 4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride (CID 120634332) is 4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride?
The canonical SMILES for 4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride is C[C@H]1C[C@@H](C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CCN1.Cl.
What is the InChIKey of 4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride?
The InChIKey is VVWKYOJKRWEYDC-FXMYHANSSA-N. The full InChI is InChI=1S/C15H23N5O2.ClH/c1-11-7-12(3-4-16-11)15(22)19-5-6-20(14(21)10-19)13-8-17-18(2)9-13;/h8-9,11-12,16H,3-7,10H2,1-2H3;1H/t11-,12-;/m0./s1.
What are the key properties of 4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride?
4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 120634332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).