3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one

C22H37N3O — CID 167386802

IUPAC3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one
SMILESCC(C)C(=O)CC1CCC(N2CCC(n3cc(C(C)C)cn3)CC2)CC1
InChIInChI=1S/C22H37N3O/c1-16(2)19-14-23-25(15-19)21-9-11-24(12-10-21)20-7-5-18(6-8-20)13-22(26)17(3)4/h14-18,20-21H,5-13H2,1-4H3
InChIKeyILBCBDYCLHDMCZ-UHFFFAOYSA-N
MW359.56 g/mol
LogP4.82
Rot. Bonds6

About 3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one

3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one (PubChem CID 167386802) has the molecular formula C22H37N3O and a molecular weight of 359.56 g/mol. Its IUPAC name is 3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one
PubChem CID167386802
Molecular FormulaC22H37N3O
Molecular Weight359.56 g/mol
Exact Mass359.29
IUPAC Name3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one
SMILESCC(C)C(=O)CC1CCC(N2CCC(n3cc(C(C)C)cn3)CC2)CC1
InChIInChI=1S/C22H37N3O/c1-16(2)19-14-23-25(15-19)21-9-11-24(12-10-21)20-7-5-18(6-8-20)13-22(26)17(3)4/h14-18,20-21H,5-13H2,1-4H3
InChIKeyILBCBDYCLHDMCZ-UHFFFAOYSA-N
XLogP4.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one with MolForge

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Related Compounds

N-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine
CID 155740125
1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine
CID 155739616
2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 156511021
1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
CID 163401121
2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one
CID 167386959
N-[[4-[4-(4-butan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine;ethane
CID 155739750
6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
CID 163401350
2-(1-cyclopropylpyrazol-4-yl)butanoic acid
CID 84773136
3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide
CID 172606973
1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol
CID 64775504
4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one
CID 155402038
2-(1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 84764977

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one?
The IUPAC name of 3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one (CID 167386802) is 3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one.
What is the SMILES notation for 3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one?
The canonical SMILES for 3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one is CC(C)C(=O)CC1CCC(N2CCC(n3cc(C(C)C)cn3)CC2)CC1.
What is the InChIKey of 3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one?
The InChIKey is ILBCBDYCLHDMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O/c1-16(2)19-14-23-25(15-19)21-9-11-24(12-10-21)20-7-5-18(6-8-20)13-22(26)17(3)4/h14-18,20-21H,5-13H2,1-4H3.
What are the key properties of 3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one?
3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one has a molecular weight of 359.56 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one is sourced from PubChem (CID 167386802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).