4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine

C22H33N7O — CID 143877131

IUPAC4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine
SMILESCCc1cnc(N2CCC(Oc3ccc(CN4CCN(NC)CC4)nc3)CC2)nc1
InChIInChI=1S/C22H33N7O/c1-3-18-14-25-22(26-15-18)28-8-6-20(7-9-28)30-21-5-4-19(24-16-21)17-27-10-12-29(23-2)13-11-27/h4-5,14-16,20,23H,3,6-13,17H2,1-2H3
InChIKeyCFANVCIDTUDPBX-UHFFFAOYSA-N
MW411.55 g/mol
LogP1.73
Rot. Bonds7

About 4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine

4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine (PubChem CID 143877131) has the molecular formula C22H33N7O and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine.

Molecular Properties

Compound Name4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine
PubChem CID143877131
Molecular FormulaC22H33N7O
Molecular Weight411.55 g/mol
Exact Mass411.27
IUPAC Name4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine
SMILESCCc1cnc(N2CCC(Oc3ccc(CN4CCN(NC)CC4)nc3)CC2)nc1
InChIInChI=1S/C22H33N7O/c1-3-18-14-25-22(26-15-18)28-8-6-20(7-9-28)30-21-5-4-19(24-16-21)17-27-10-12-29(23-2)13-11-27/h4-5,14-16,20,23H,3,6-13,17H2,1-2H3
InChIKeyCFANVCIDTUDPBX-UHFFFAOYSA-N
XLogP1.73
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine with MolForge

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Related Compounds

5-ethyl-2-[4-[4-[(4-methylsulfinylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine
CID 66874331
2-[4-[4-(2,6-dimethyl-3-pyridinyl)phenoxy]piperidin-1-yl]-5-ethylpyrimidine
CID 91395356
5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine
CID 90810331
2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
CID 138988924
5-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-1,3,2-dioxathiane 2,2-dioxide
CID 87429369
N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine
CID 91198410
5-cyclopentyloxy-2-ethylpyridine
CID 143839815
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
CID 116976316
2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163348119
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-methylpyrazine
CID 171700905
2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine
CID 142711209
1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-5-(1,2,4-triazol-1-yl)-4,5-dihydroindole
CID 67808461

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine?
The IUPAC name of 4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine (CID 143877131) is 4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine.
What is the SMILES notation for 4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine?
The canonical SMILES for 4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine is CCc1cnc(N2CCC(Oc3ccc(CN4CCN(NC)CC4)nc3)CC2)nc1.
What is the InChIKey of 4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine?
The InChIKey is CFANVCIDTUDPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7O/c1-3-18-14-25-22(26-15-18)28-8-6-20(7-9-28)30-21-5-4-19(24-16-21)17-27-10-12-29(23-2)13-11-27/h4-5,14-16,20,23H,3,6-13,17H2,1-2H3.
What are the key properties of 4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine?
4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine has a molecular weight of 411.55 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine is sourced from PubChem (CID 143877131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).