1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]hydrazine

C43H51ClN8O4 — CID 68969744

IUPAC1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]hydrazine
SMILESCCOc1cc(CN2CCC(C3CC(N(N)c4ncc(-c5ccc(OC)cc5)cn4)CCN3c3ncc(-c4ccc(OC)cc4)cn3)CC2)cc(OCC)c1Cl
InChIInChI=1S/C43H51ClN8O4/c1-5-55-39-21-29(22-40(41(39)44)56-6-2)28-50-18-15-32(16-19-50)38-23-35(52(45)43-48-26-34(27-49-43)31-9-13-37(54-4)14-10-31)17-20-51(38)42-46-24-33(25-47-42)30-7-11-36(53-3)12-8-30/h7-14,21-22,24-27,32,35,38H,5-6,15-20,23,28,45H2,1-4H3
InChIKeyALXVVUITIYOWPK-UHFFFAOYSA-N
MW779.39 g/mol
LogP7.70
Rot. Bonds14

About 1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]hydrazine

1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]hydrazine (PubChem CID 68969744) has the molecular formula C43H51ClN8O4 and a molecular weight of 779.39 g/mol. Its IUPAC name is 1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]hydrazine
PubChem CID68969744
Molecular FormulaC43H51ClN8O4
Molecular Weight779.39 g/mol
Exact Mass778.37
IUPAC Name1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]hydrazine
SMILESCCOc1cc(CN2CCC(C3CC(N(N)c4ncc(-c5ccc(OC)cc5)cn4)CCN3c3ncc(-c4ccc(OC)cc4)cn3)CC2)cc(OCC)c1Cl
InChIInChI=1S/C43H51ClN8O4/c1-5-55-39-21-29(22-40(41(39)44)56-6-2)28-50-18-15-32(16-19-50)38-23-35(52(45)43-48-26-34(27-49-43)31-9-13-37(54-4)14-10-31)17-20-51(38)42-46-24-33(25-47-42)30-7-11-36(53-3)12-8-30/h7-14,21-22,24-27,32,35,38H,5-6,15-20,23,28,45H2,1-4H3
InChIKeyALXVVUITIYOWPK-UHFFFAOYSA-N
XLogP7.70
TPSA124.22 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500779.39
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine
CID 68967573
1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine
CID 91569438
1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-1-[1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]hydrazine;dihydrochloride
CID 68967196
N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 68781594
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine
CID 24826627
1-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis[5-(4-methoxyphenyl)pyrimidin-2-yl]-2-piperidin-4-ylhydrazine
CID 68963001
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine
CID 67198237
3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol
CID 67401138
1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-1,2-bis(5-pyridin-3-ylpyrimidin-2-yl)hydrazine
CID 90739560
3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol
CID 67399652
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]isoquinolin-1-amine
CID 67401024
5-(3,4-dimethoxyphenyl)-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 68787116

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of 1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]hydrazine (CID 68969744) is 1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for 1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for 1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]hydrazine is CCOc1cc(CN2CCC(C3CC(N(N)c4ncc(-c5ccc(OC)cc5)cn4)CCN3c3ncc(-c4ccc(OC)cc4)cn3)CC2)cc(OCC)c1Cl.
What is the InChIKey of 1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]hydrazine?
The InChIKey is ALXVVUITIYOWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H51ClN8O4/c1-5-55-39-21-29(22-40(41(39)44)56-6-2)28-50-18-15-32(16-19-50)38-23-35(52(45)43-48-26-34(27-49-43)31-9-13-37(54-4)14-10-31)17-20-51(38)42-46-24-33(25-47-42)30-7-11-36(53-3)12-8-30/h7-14,21-22,24-27,32,35,38H,5-6,15-20,23,28,45H2,1-4H3.
What are the key properties of 1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]hydrazine?
1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]hydrazine has a molecular weight of 779.39 g/mol, XLogP of 7.70, 14 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 68969744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).