[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone

C15H18N4O — CID 90495097

IUPAC[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C15H18N4O/c20-15(14-3-1-6-16-11-14)18-9-4-13(5-10-18)12-19-8-2-7-17-19/h1-3,6-8,11,13H,4-5,9-10,12H2
InChIKeyMMRSEVYACLIQOG-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.83
Rot. Bonds3

About [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone

[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 90495097) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID90495097
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C15H18N4O/c20-15(14-3-1-6-16-11-14)18-9-4-13(5-10-18)12-19-8-2-7-17-19/h1-3,6-8,11,13H,4-5,9-10,12H2
InChIKeyMMRSEVYACLIQOG-UHFFFAOYSA-N
XLogP1.83
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 138001709
[6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95193057
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
[6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 25372870
[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 99817438
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
(2-bromophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494885
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465

Frequently Asked Questions

What is the IUPAC name of [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone (CID 90495097) is [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is MMRSEVYACLIQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(14-3-1-6-16-11-14)18-9-4-13(5-10-18)12-19-8-2-7-17-19/h1-3,6-8,11,13H,4-5,9-10,12H2.
What are the key properties of [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone?
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 270.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 90495097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).