1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine

C54H68F2N8O6 — CID 87608029

IUPAC1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine
SMILESCCOc1cc(CN2CCC(N(c3ccc(N4CCOCC4)nc3)N(c3ccc(N4CCOCC4)nc3)C3CCN(Cc4ccc(OC(F)F)c(OCC)c4)CC3)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C54H68F2N8O6/c1-3-67-50-34-42(10-14-48(50)69-40-41-8-6-5-7-9-41)38-59-22-18-44(19-23-59)63(46-12-16-52(57-36-46)61-26-30-65-31-27-61)64(47-13-17-53(58-37-47)62-28-32-66-33-29-62)45-20-24-60(25-21-45)39-43-11-15-49(70-54(55)56)51(35-43)68-4-2/h5-17,34-37,44-45,54H,3-4,18-33,38-40H2,1-2H3
InChIKeyHSCCDDILRJYNNB-UHFFFAOYSA-N
MW963.18 g/mol
LogP8.68
Rot. Bonds20

About 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine

1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine (PubChem CID 87608029) has the molecular formula C54H68F2N8O6 and a molecular weight of 963.18 g/mol. Its IUPAC name is 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine.

Molecular Properties

Compound Name1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine
PubChem CID87608029
Molecular FormulaC54H68F2N8O6
Molecular Weight963.18 g/mol
Exact Mass962.52
IUPAC Name1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine
SMILESCCOc1cc(CN2CCC(N(c3ccc(N4CCOCC4)nc3)N(c3ccc(N4CCOCC4)nc3)C3CCN(Cc4ccc(OC(F)F)c(OCC)c4)CC3)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C54H68F2N8O6/c1-3-67-50-34-42(10-14-48(50)69-40-41-8-6-5-7-9-41)38-59-22-18-44(19-23-59)63(46-12-16-52(57-36-46)61-26-30-65-31-27-61)64(47-13-17-53(58-37-47)62-28-32-66-33-29-62)45-20-24-60(25-21-45)39-43-11-15-49(70-54(55)56)51(35-43)68-4-2/h5-17,34-37,44-45,54H,3-4,18-33,38-40H2,1-2H3
InChIKeyHSCCDDILRJYNNB-UHFFFAOYSA-N
XLogP8.68
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500963.18
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine?
The IUPAC name of 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine (CID 87608029) is 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine.
What is the SMILES notation for 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine?
The canonical SMILES for 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine is CCOc1cc(CN2CCC(N(c3ccc(N4CCOCC4)nc3)N(c3ccc(N4CCOCC4)nc3)C3CCN(Cc4ccc(OC(F)F)c(OCC)c4)CC3)CC2)ccc1OCc1ccccc1.
What is the InChIKey of 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine?
The InChIKey is HSCCDDILRJYNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H68F2N8O6/c1-3-67-50-34-42(10-14-48(50)69-40-41-8-6-5-7-9-41)38-59-22-18-44(19-23-59)63(46-12-16-52(57-36-46)61-26-30-65-31-27-61)64(47-13-17-53(58-37-47)62-28-32-66-33-29-62)45-20-24-60(25-21-45)39-43-11-15-49(70-54(55)56)51(35-43)68-4-2/h5-17,34-37,44-45,54H,3-4,18-33,38-40H2,1-2H3.
What are the key properties of 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine?
1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine has a molecular weight of 963.18 g/mol, XLogP of 8.68, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine is sourced from PubChem (CID 87608029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).