2-(3,5-dimethylpyrazol-1-yl)-1-[4-[1-hydroxy-2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]ethanone

C19H33N5O2 — CID 154819075

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[4-[1-hydroxy-2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCC(C(O)CN3CCN(C)CC3)CC2)n1
InChIInChI=1S/C19H33N5O2/c1-15-12-16(2)24(20-15)14-19(26)23-6-4-17(5-7-23)18(25)13-22-10-8-21(3)9-11-22/h12,17-18,25H,4-11,13-14H2,1-3H3
InChIKeyCRFGYJXBLUQTKD-UHFFFAOYSA-N
MW363.51 g/mol
LogP0.35
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[1-hydroxy-2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[4-[1-hydroxy-2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]ethanone (PubChem CID 154819075) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[1-hydroxy-2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[4-[1-hydroxy-2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]ethanone
PubChem CID154819075
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[4-[1-hydroxy-2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCC(C(O)CN3CCN(C)CC3)CC2)n1
InChIInChI=1S/C19H33N5O2/c1-15-12-16(2)24(20-15)14-19(26)23-6-4-17(5-7-23)18(25)13-22-10-8-21(3)9-11-22/h12,17-18,25H,4-11,13-14H2,1-3H3
InChIKeyCRFGYJXBLUQTKD-UHFFFAOYSA-N
XLogP0.35
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 63594626
4-(3,5-dimethylpyrazol-1-yl)-1-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]butan-1-one
CID 70732290
1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide
CID 110246529
4-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]butan-1-one
CID 96573982
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]ethanone
CID 124754602
1-[(3S)-3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 92633517
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone;dihydrochloride
CID 119592882
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534087
2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124984897
1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 63863889
2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65418529
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 54878873

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[1-hydroxy-2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[1-hydroxy-2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]ethanone (CID 154819075) is 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[1-hydroxy-2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[1-hydroxy-2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[1-hydroxy-2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCC(C(O)CN3CCN(C)CC3)CC2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[1-hydroxy-2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is CRFGYJXBLUQTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-15-12-16(2)24(20-15)14-19(26)23-6-4-17(5-7-23)18(25)13-22-10-8-21(3)9-11-22/h12,17-18,25H,4-11,13-14H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[1-hydroxy-2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[1-hydroxy-2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 363.51 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[1-hydroxy-2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 154819075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).