(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone

C15H18N4O — CID 53014451

IUPAC(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
SMILESCC1CCCN(C(=O)c2ccc(-n3cccn3)nc2)C1
InChIInChI=1S/C15H18N4O/c1-12-4-2-8-18(11-12)15(20)13-5-6-14(16-10-13)19-9-3-7-17-19/h3,5-7,9-10,12H,2,4,8,11H2,1H3
InChIKeyJNPSXCXJZFHFLC-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.14
Rot. Bonds2

About (3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone

(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone (PubChem CID 53014451) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
PubChem CID53014451
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
SMILESCC1CCCN(C(=O)c2ccc(-n3cccn3)nc2)C1
InChIInChI=1S/C15H18N4O/c1-12-4-2-8-18(11-12)15(20)13-5-6-14(16-10-13)19-9-3-7-17-19/h3,5-7,9-10,12H,2,4,8,11H2,1H3
InChIKeyJNPSXCXJZFHFLC-UHFFFAOYSA-N
XLogP2.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125013420
[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 124972028
(3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109160628
(6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 125000089
[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 127246620
[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125024145
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 110115882
[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 124976602
(4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 110090789
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
CID 110683661
(6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23725328
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125010503

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone (CID 53014451) is (3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone is CC1CCCN(C(=O)c2ccc(-n3cccn3)nc2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The InChIKey is JNPSXCXJZFHFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-12-4-2-8-18(11-12)15(20)13-5-6-14(16-10-13)19-9-3-7-17-19/h3,5-7,9-10,12H,2,4,8,11H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone?
(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone has a molecular weight of 270.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 53014451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).