2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one

C17H27N3O — CID 79536816

IUPAC2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one
SMILESCCn1cc(CN2CCCCC2C2CCCCC2=O)cn1
InChIInChI=1S/C17H27N3O/c1-2-20-13-14(11-18-20)12-19-10-6-5-8-16(19)15-7-3-4-9-17(15)21/h11,13,15-16H,2-10,12H2,1H3
InChIKeyCZTJFFZLEFBFHJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.02
Rot. Bonds4

About 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one

2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one (PubChem CID 79536816) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one
PubChem CID79536816
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one
SMILESCCn1cc(CN2CCCCC2C2CCCCC2=O)cn1
InChIInChI=1S/C17H27N3O/c1-2-20-13-14(11-18-20)12-19-10-6-5-8-16(19)15-7-3-4-9-17(15)21/h11,13,15-16H,2-10,12H2,1H3
InChIKeyCZTJFFZLEFBFHJ-UHFFFAOYSA-N
XLogP3.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 97158796
2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79541812
2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79549276
[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 62128080
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 103002711
1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 62126735
2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79546696
(2S)-2-[(2S)-1-benzylazepan-2-yl]cyclopentan-1-one
CID 99978810
1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338918
1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77036051
2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 82917495
2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine
CID 64846043

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one (CID 79536816) is 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one is CCn1cc(CN2CCCCC2C2CCCCC2=O)cn1.
What is the InChIKey of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
The InChIKey is CZTJFFZLEFBFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-20-13-14(11-18-20)12-19-10-6-5-8-16(19)15-7-3-4-9-17(15)21/h11,13,15-16H,2-10,12H2,1H3.
What are the key properties of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79536816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).