piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone

C20H24N6O2 — CID 109081080

IUPACpiperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(C(=O)N2CCN(c3ncccn3)CC2)c1)N1CCCCC1
InChIInChI=1S/C20H24N6O2/c27-18(24-9-2-1-3-10-24)16-5-8-21-17(15-16)19(28)25-11-13-26(14-12-25)20-22-6-4-7-23-20/h4-8,15H,1-3,9-14H2
InChIKeyXUKBHEOVVNGSPL-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.46
Rot. Bonds3

About piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone

piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone (PubChem CID 109081080) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
PubChem CID109081080
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Namepiperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(C(=O)N2CCN(c3ncccn3)CC2)c1)N1CCCCC1
InChIInChI=1S/C20H24N6O2/c27-18(24-9-2-1-3-10-24)16-5-8-21-17(15-16)19(28)25-11-13-26(14-12-25)20-22-6-4-7-23-20/h4-8,15H,1-3,9-14H2
InChIKeyXUKBHEOVVNGSPL-UHFFFAOYSA-N
XLogP1.46
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109055810
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
morpholin-4-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109082844
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080358
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295154
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
[5-(azepan-1-yl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194519

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone?
The IUPAC name of piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone (CID 109081080) is piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone.
What is the SMILES notation for piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone?
The canonical SMILES for piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone is O=C(c1ccnc(C(=O)N2CCN(c3ncccn3)CC2)c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone?
The InChIKey is XUKBHEOVVNGSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c27-18(24-9-2-1-3-10-24)16-5-8-21-17(15-16)19(28)25-11-13-26(14-12-25)20-22-6-4-7-23-20/h4-8,15H,1-3,9-14H2.
What are the key properties of piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone?
piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone has a molecular weight of 380.45 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone is sourced from PubChem (CID 109081080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).