2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one

C16H25N3O — CID 82866936

IUPAC2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
SMILESCn1ccc(CN2CCCCC2C2CCCCC2=O)n1
InChIInChI=1S/C16H25N3O/c1-18-11-9-13(17-18)12-19-10-5-4-7-15(19)14-6-2-3-8-16(14)20/h9,11,14-15H,2-8,10,12H2,1H3
InChIKeyMOMUCFGLRMLKSD-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.53
Rot. Bonds3

About 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one

2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one (PubChem CID 82866936) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
PubChem CID82866936
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
SMILESCn1ccc(CN2CCCCC2C2CCCCC2=O)n1
InChIInChI=1S/C16H25N3O/c1-18-11-9-13(17-18)12-19-10-5-4-7-15(19)14-6-2-3-8-16(14)20/h9,11,14-15H,2-8,10,12H2,1H3
InChIKeyMOMUCFGLRMLKSD-UHFFFAOYSA-N
XLogP2.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 82866833
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 79545015
2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553267
2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 79536007
2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79546696
2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79549497
2-(bromomethyl)-1-[(1-methylpyrazol-3-yl)methyl]azepane
CID 116638341
2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one
CID 82869773
2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79541000
(2S)-2-[(2S)-1-benzylazepan-2-yl]cyclopentan-1-one
CID 99978810
2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79536827
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one
CID 103002715

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one (CID 82866936) is 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one is Cn1ccc(CN2CCCCC2C2CCCCC2=O)n1.
What is the InChIKey of 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
The InChIKey is MOMUCFGLRMLKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18-11-9-13(17-18)12-19-10-5-4-7-15(19)14-6-2-3-8-16(14)20/h9,11,14-15H,2-8,10,12H2,1H3.
What are the key properties of 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one has a molecular weight of 275.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 82866936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).