cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

C14H21N3O — CID 90495103

IUPACcyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C14H21N3O/c18-14(13-3-1-4-13)16-9-5-12(6-10-16)11-17-8-2-7-15-17/h2,7-8,12-13H,1,3-6,9-11H2
InChIKeyUERCAHSFUFYWQM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.92
Rot. Bonds3

About cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 90495103) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID90495103
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Namecyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C14H21N3O/c18-14(13-3-1-4-13)16-9-5-12(6-10-16)11-17-8-2-7-15-17/h2,7-8,12-13H,1,3-6,9-11H2
InChIKeyUERCAHSFUFYWQM-UHFFFAOYSA-N
XLogP1.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 52906708
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119880920
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 73440121
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
CID 90494857
5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 138001709
(1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119880907
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 120941367
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 95552335
ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate
CID 52906692
1-[3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110246532

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (CID 90495103) is cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is UERCAHSFUFYWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14(13-3-1-4-13)16-9-5-12(6-10-16)11-17-8-2-7-15-17/h2,7-8,12-13H,1,3-6,9-11H2.
What are the key properties of cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 247.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 90495103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).