(3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone

C19H26N6O — CID 90520604

IUPAC(3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
SMILESCC1CCCN(C(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)C1
InChIInChI=1S/C19H26N6O/c1-15-5-2-9-24(12-15)19(26)16-6-3-8-23(13-16)17-11-18(21-14-20-17)25-10-4-7-22-25/h4,7,10-11,14-16H,2-3,5-6,8-9,12-13H2,1H3
InChIKeyBWBKKYWSRGECOX-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.14
Rot. Bonds3

About (3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone

(3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone (PubChem CID 90520604) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
PubChem CID90520604
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name(3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
SMILESCC1CCCN(C(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)C1
InChIInChI=1S/C19H26N6O/c1-15-5-2-9-24(12-15)19(26)16-6-3-8-23(13-16)17-11-18(21-14-20-17)25-10-4-7-22-25/h4,7,10-11,14-16H,2-3,5-6,8-9,12-13H2,1H3
InChIKeyBWBKKYWSRGECOX-UHFFFAOYSA-N
XLogP2.14
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone (CID 90520604) is (3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone is CC1CCCN(C(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone?
The InChIKey is BWBKKYWSRGECOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-15-5-2-9-24(12-15)19(26)16-6-3-8-23(13-16)17-11-18(21-14-20-17)25-10-4-7-22-25/h4,7,10-11,14-16H,2-3,5-6,8-9,12-13H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone?
(3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone has a molecular weight of 354.46 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 90520604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).