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

C15H23N3O — CID 82866833

IUPAC2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-one
SMILESCn1ccc(CN2CCCCC2C2CCCC2=O)n1
InChIInChI=1S/C15H23N3O/c1-17-10-8-12(16-17)11-18-9-3-2-6-14(18)13-5-4-7-15(13)19/h8,10,13-14H,2-7,9,11H2,1H3
InChIKeyAREPEHNQQSXYPU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.14
Rot. Bonds3

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

2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-one (PubChem CID 82866833) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-one
PubChem CID82866833
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-one
SMILESCn1ccc(CN2CCCCC2C2CCCC2=O)n1
InChIInChI=1S/C15H23N3O/c1-17-10-8-12(16-17)11-18-9-3-2-6-14(18)13-5-4-7-15(13)19/h8,10,13-14H,2-7,9,11H2,1H3
InChIKeyAREPEHNQQSXYPU-UHFFFAOYSA-N
XLogP2.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-one (CID 82866833) is 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-one is Cn1ccc(CN2CCCCC2C2CCCC2=O)n1.
What is the InChIKey of 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-one?
The InChIKey is AREPEHNQQSXYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17-10-8-12(16-17)11-18-9-3-2-6-14(18)13-5-4-7-15(13)19/h8,10,13-14H,2-7,9,11H2,1H3.
What are the key properties of 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-one?
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.14, 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]cyclopentan-1-one is sourced from PubChem (CID 82866833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).