2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one

C17H27N3O — CID 79536007

IUPAC2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one
SMILESCCc1cc(CN2CCCCC2C2CCCC2=O)n(C)n1
InChIInChI=1S/C17H27N3O/c1-3-13-11-14(19(2)18-13)12-20-10-5-4-8-16(20)15-7-6-9-17(15)21/h11,15-16H,3-10,12H2,1-2H3
InChIKeySXEDQTOMUVWPRT-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.71
Rot. Bonds4

About 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one

2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one (PubChem CID 79536007) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one
PubChem CID79536007
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one
SMILESCCc1cc(CN2CCCCC2C2CCCC2=O)n(C)n1
InChIInChI=1S/C17H27N3O/c1-3-13-11-14(19(2)18-13)12-20-10-5-4-8-16(20)15-7-6-9-17(15)21/h11,15-16H,3-10,12H2,1-2H3
InChIKeySXEDQTOMUVWPRT-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one (CID 79536007) is 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one is CCc1cc(CN2CCCCC2C2CCCC2=O)n(C)n1.
What is the InChIKey of 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one?
The InChIKey is SXEDQTOMUVWPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-13-11-14(19(2)18-13)12-20-10-5-4-8-16(20)15-7-6-9-17(15)21/h11,15-16H,3-10,12H2,1-2H3.
What are the key properties of 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one?
2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one has a molecular weight of 289.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79536007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).