1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-dipyridin-3-ylhydrazine

C41H52F2N6O4 — CID 68870395

IUPAC1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-dipyridin-3-ylhydrazine
SMILESCCCOc1cc(CN2CCC(N(c3cccnc3)N(c3cccnc3)C3CCN(Cc4ccc(OC(F)F)c(OCC)c4)CC3)CC2)ccc1OC
InChIInChI=1S/C41H52F2N6O4/c1-4-24-52-39-25-31(10-12-37(39)50-3)29-46-20-14-33(15-21-46)48(35-8-6-18-44-27-35)49(36-9-7-19-45-28-36)34-16-22-47(23-17-34)30-32-11-13-38(53-41(42)43)40(26-32)51-5-2/h6-13,18-19,25-28,33-34,41H,4-5,14-17,20-24,29-30H2,1-3H3
InChIKeyLOJWICZIWOILEJ-UHFFFAOYSA-N
MW730.90 g/mol
LogP7.83
Rot. Bonds17

About 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-dipyridin-3-ylhydrazine

1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-dipyridin-3-ylhydrazine (PubChem CID 68870395) has the molecular formula C41H52F2N6O4 and a molecular weight of 730.90 g/mol. Its IUPAC name is 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-dipyridin-3-ylhydrazine.

Molecular Properties

Compound Name1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-dipyridin-3-ylhydrazine
PubChem CID68870395
Molecular FormulaC41H52F2N6O4
Molecular Weight730.90 g/mol
Exact Mass730.40
IUPAC Name1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-dipyridin-3-ylhydrazine
SMILESCCCOc1cc(CN2CCC(N(c3cccnc3)N(c3cccnc3)C3CCN(Cc4ccc(OC(F)F)c(OCC)c4)CC3)CC2)ccc1OC
InChIInChI=1S/C41H52F2N6O4/c1-4-24-52-39-25-31(10-12-37(39)50-3)29-46-20-14-33(15-21-46)48(35-8-6-18-44-27-35)49(36-9-7-19-45-28-36)34-16-22-47(23-17-34)30-32-11-13-38(53-41(42)43)40(26-32)51-5-2/h6-13,18-19,25-28,33-34,41H,4-5,14-17,20-24,29-30H2,1-3H3
InChIKeyLOJWICZIWOILEJ-UHFFFAOYSA-N
XLogP7.83
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.90
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-dipyridin-3-ylhydrazine?
The IUPAC name of 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-dipyridin-3-ylhydrazine (CID 68870395) is 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-dipyridin-3-ylhydrazine.
What is the SMILES notation for 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-dipyridin-3-ylhydrazine?
The canonical SMILES for 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-dipyridin-3-ylhydrazine is CCCOc1cc(CN2CCC(N(c3cccnc3)N(c3cccnc3)C3CCN(Cc4ccc(OC(F)F)c(OCC)c4)CC3)CC2)ccc1OC.
What is the InChIKey of 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-dipyridin-3-ylhydrazine?
The InChIKey is LOJWICZIWOILEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H52F2N6O4/c1-4-24-52-39-25-31(10-12-37(39)50-3)29-46-20-14-33(15-21-46)48(35-8-6-18-44-27-35)49(36-9-7-19-45-28-36)34-16-22-47(23-17-34)30-32-11-13-38(53-41(42)43)40(26-32)51-5-2/h6-13,18-19,25-28,33-34,41H,4-5,14-17,20-24,29-30H2,1-3H3.
What are the key properties of 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-dipyridin-3-ylhydrazine?
1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-dipyridin-3-ylhydrazine has a molecular weight of 730.90 g/mol, XLogP of 7.83, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-dipyridin-3-ylhydrazine is sourced from PubChem (CID 68870395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).