6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one

C17H29N3O — CID 163401350

IUPAC6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
SMILESCCC(=O)CCCN1CCC(n2cc(C(C)C)cn2)CC1
InChIInChI=1S/C17H29N3O/c1-4-17(21)6-5-9-19-10-7-16(8-11-19)20-13-15(12-18-20)14(2)3/h12-14,16H,4-11H2,1-3H3
InChIKeyIBQFRIJXGVBYQM-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.40
Rot. Bonds7

About 6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one

6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one (PubChem CID 163401350) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one.

Molecular Properties

Compound Name6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
PubChem CID163401350
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
SMILESCCC(=O)CCCN1CCC(n2cc(C(C)C)cn2)CC1
InChIInChI=1S/C17H29N3O/c1-4-17(21)6-5-9-19-10-7-16(8-11-19)20-13-15(12-18-20)14(2)3/h12-14,16H,4-11H2,1-3H3
InChIKeyIBQFRIJXGVBYQM-UHFFFAOYSA-N
XLogP3.40
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
CID 163401121
2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 156511021
4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one
CID 155402038
S-methyl 3-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]propanethioate
CID 155405069
5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one
CID 176978583
2-methyl-8-[4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidin-1-yl]octan-4-one
CID 155740126
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
3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one
CID 167386802
1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine
CID 155739616
6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one
CID 106801418
3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide
CID 172606973
2-(1-cyclopropylpyrazol-4-yl)butanoic acid
CID 84773136

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one?
The IUPAC name of 6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one (CID 163401350) is 6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one.
What is the SMILES notation for 6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one?
The canonical SMILES for 6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one is CCC(=O)CCCN1CCC(n2cc(C(C)C)cn2)CC1.
What is the InChIKey of 6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one?
The InChIKey is IBQFRIJXGVBYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-17(21)6-5-9-19-10-7-16(8-11-19)20-13-15(12-18-20)14(2)3/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one?
6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one has a molecular weight of 291.44 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one is sourced from PubChem (CID 163401350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).