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

C16H25N3O — CID 103002715

IUPAC2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one
SMILESCn1nccc1CCN1CCCCC1C1CCCC1=O
InChIInChI=1S/C16H25N3O/c1-18-13(8-10-17-18)9-12-19-11-3-2-6-15(19)14-5-4-7-16(14)20/h8,10,14-15H,2-7,9,11-12H2,1H3
InChIKeyPEZQJCSZUFLCAU-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.19
Rot. Bonds4

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

2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one (PubChem CID 103002715) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one
PubChem CID103002715
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one
SMILESCn1nccc1CCN1CCCCC1C1CCCC1=O
InChIInChI=1S/C16H25N3O/c1-18-13(8-10-17-18)9-12-19-11-3-2-6-15(19)14-5-4-7-16(14)20/h8,10,14-15H,2-7,9,11-12H2,1H3
InChIKeyPEZQJCSZUFLCAU-UHFFFAOYSA-N
XLogP2.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 103002711
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 103024217
2-(1-hexylpiperidin-2-yl)cyclopentan-1-one
CID 79545160
2-(1-octylpiperidin-2-yl)cyclohexan-1-one
CID 79539887
2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015231
2-[1-(2-methoxyethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553024
2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 79536007
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 82866936
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 82866833
2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one
CID 115513982
2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one
CID 79553801
N,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide
CID 79541365

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one (CID 103002715) is 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one is Cn1nccc1CCN1CCCCC1C1CCCC1=O.
What is the InChIKey of 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one?
The InChIKey is PEZQJCSZUFLCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18-13(8-10-17-18)9-12-19-11-3-2-6-15(19)14-5-4-7-16(14)20/h8,10,14-15H,2-7,9,11-12H2,1H3.
What are the key properties of 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one?
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one has a molecular weight of 275.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 103002715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).