2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]cyclopentan-1-one

C16H23N3O2 — CID 79538492

IUPAC2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]cyclopentan-1-one
SMILESCc1c(C(=O)N2CCCCC2C2CCCC2=O)cnn1C
InChIInChI=1S/C16H23N3O2/c1-11-13(10-17-18(11)2)16(21)19-9-4-3-7-14(19)12-6-5-8-15(12)20/h10,12,14H,3-9H2,1-2H3
InChIKeyCNIFMHXEUDAPCJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.09
Rot. Bonds2

About 2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]cyclopentan-1-one

2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]cyclopentan-1-one (PubChem CID 79538492) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]cyclopentan-1-one
PubChem CID79538492
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]cyclopentan-1-one
SMILESCc1c(C(=O)N2CCCCC2C2CCCC2=O)cnn1C
InChIInChI=1S/C16H23N3O2/c1-11-13(10-17-18(11)2)16(21)19-9-4-3-7-14(19)12-6-5-8-15(12)20/h10,12,14H,3-9H2,1-2H3
InChIKeyCNIFMHXEUDAPCJ-UHFFFAOYSA-N
XLogP2.09
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(chloromethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 55188355
2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546267
2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 115969065
2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 81445915
1-[1-(1,5-dimethylpyrazole-4-carbonyl)azepan-2-yl]propan-2-one
CID 79553133
2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 82809405
1-(1,5-dimethylpyrazole-4-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 43209912
2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538771
(1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 55076306
(1,5-dimethylpyrazol-4-yl)-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762332
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538753
2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one
CID 81329846

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]cyclopentan-1-one (CID 79538492) is 2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]cyclopentan-1-one is Cc1c(C(=O)N2CCCCC2C2CCCC2=O)cnn1C.
What is the InChIKey of 2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]cyclopentan-1-one?
The InChIKey is CNIFMHXEUDAPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-13(10-17-18(11)2)16(21)19-9-4-3-7-14(19)12-6-5-8-15(12)20/h10,12,14H,3-9H2,1-2H3.
What are the key properties of 2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]cyclopentan-1-one?
2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]cyclopentan-1-one has a molecular weight of 289.38 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79538492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).