(3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone

C20H26N6O — CID 109160628

IUPAC(3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCC1CCCN(C(=O)c2ccc(N3CCN(c4ncccn4)CC3)nc2)C1
InChIInChI=1S/C20H26N6O/c1-16-4-2-9-26(15-16)19(27)17-5-6-18(23-14-17)24-10-12-25(13-11-24)20-21-7-3-8-22-20/h3,5-8,14,16H,2,4,9-13,15H2,1H3
InChIKeyHKRHRJFTSGSGLS-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.07
Rot. Bonds3

About (3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone

(3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone (PubChem CID 109160628) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
PubChem CID109160628
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name(3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCC1CCCN(C(=O)c2ccc(N3CCN(c4ncccn4)CC3)nc2)C1
InChIInChI=1S/C20H26N6O/c1-16-4-2-9-26(15-16)19(27)17-5-6-18(23-14-17)24-10-12-25(13-11-24)20-21-7-3-8-22-20/h3,5-8,14,16H,2,4,9-13,15H2,1H3
InChIKeyHKRHRJFTSGSGLS-UHFFFAOYSA-N
XLogP2.07
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone with MolForge

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Related Compounds

[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109160667
(3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 109262221
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 56757644
(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 53014451
1-[1-[5-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 75463755
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636
[6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 56741230
[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109262111
[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone
CID 28957540
(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone
CID 119378158
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
CID 110683661
(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119378111

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone (CID 109160628) is (3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone is CC1CCCN(C(=O)c2ccc(N3CCN(c4ncccn4)CC3)nc2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone?
The InChIKey is HKRHRJFTSGSGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-16-4-2-9-26(15-16)19(27)17-5-6-18(23-14-17)24-10-12-25(13-11-24)20-21-7-3-8-22-20/h3,5-8,14,16H,2,4,9-13,15H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone?
(3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone has a molecular weight of 366.47 g/mol, XLogP of 2.07, 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)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 109160628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).