1-[2-[4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-N',N'-dimethyl-4-phenylpiperidine-4-carbohydrazide;dihydrochloride

C33H40Cl2F2N4O3 — CID 21200622

IUPAC1-[2-[4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-N',N'-dimethyl-4-phenylpiperidine-4-carbohydrazide;dihydrochloride
SMILESCN(C)NC(=O)C1(c2ccccc2)CCN(CCC2(c3ccc(F)c(F)c3)CN(C(=O)c3ccccc3)CCO2)CC1.Cl.Cl
InChIInChI=1S/C33H38F2N4O3.2ClH/c1-37(2)36-31(41)32(26-11-7-4-8-12-26)15-18-38(19-16-32)20-17-33(27-13-14-28(34)29(35)23-27)24-39(21-22-42-33)30(40)25-9-5-3-6-10-25;;/h3-14,23H,15-22,24H2,1-2H3,(H,36,41);2*1H
InChIKeyLGYSOFZSQVOZII-UHFFFAOYSA-N
MW649.61 g/mol
LogP5.19
Rot. Bonds8

About 1-[2-[4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-N',N'-dimethyl-4-phenylpiperidine-4-carbohydrazide;dihydrochloride

1-[2-[4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-N',N'-dimethyl-4-phenylpiperidine-4-carbohydrazide;dihydrochloride (PubChem CID 21200622) has the molecular formula C33H40Cl2F2N4O3 and a molecular weight of 649.61 g/mol. Its IUPAC name is 1-[2-[4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-N',N'-dimethyl-4-phenylpiperidine-4-carbohydrazide;dihydrochloride.

Molecular Properties

Compound Name1-[2-[4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-N',N'-dimethyl-4-phenylpiperidine-4-carbohydrazide;dihydrochloride
PubChem CID21200622
Molecular FormulaC33H40Cl2F2N4O3
Molecular Weight649.61 g/mol
Exact Mass648.24
IUPAC Name1-[2-[4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-N',N'-dimethyl-4-phenylpiperidine-4-carbohydrazide;dihydrochloride
SMILESCN(C)NC(=O)C1(c2ccccc2)CCN(CCC2(c3ccc(F)c(F)c3)CN(C(=O)c3ccccc3)CCO2)CC1.Cl.Cl
InChIInChI=1S/C33H38F2N4O3.2ClH/c1-37(2)36-31(41)32(26-11-7-4-8-12-26)15-18-38(19-16-32)20-17-33(27-13-14-28(34)29(35)23-27)24-39(21-22-42-33)30(40)25-9-5-3-6-10-25;;/h3-14,23H,15-22,24H2,1-2H3,(H,36,41);2*1H
InChIKeyLGYSOFZSQVOZII-UHFFFAOYSA-N
XLogP5.19
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.61
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-[4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-N',N'-dimethyl-4-phenylpiperidine-4-carbohydrazide;dihydrochloride?
The IUPAC name of 1-[2-[4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-N',N'-dimethyl-4-phenylpiperidine-4-carbohydrazide;dihydrochloride (CID 21200622) is 1-[2-[4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-N',N'-dimethyl-4-phenylpiperidine-4-carbohydrazide;dihydrochloride.
What is the SMILES notation for 1-[2-[4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-N',N'-dimethyl-4-phenylpiperidine-4-carbohydrazide;dihydrochloride?
The canonical SMILES for 1-[2-[4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-N',N'-dimethyl-4-phenylpiperidine-4-carbohydrazide;dihydrochloride is CN(C)NC(=O)C1(c2ccccc2)CCN(CCC2(c3ccc(F)c(F)c3)CN(C(=O)c3ccccc3)CCO2)CC1.Cl.Cl.
What is the InChIKey of 1-[2-[4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-N',N'-dimethyl-4-phenylpiperidine-4-carbohydrazide;dihydrochloride?
The InChIKey is LGYSOFZSQVOZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38F2N4O3.2ClH/c1-37(2)36-31(41)32(26-11-7-4-8-12-26)15-18-38(19-16-32)20-17-33(27-13-14-28(34)29(35)23-27)24-39(21-22-42-33)30(40)25-9-5-3-6-10-25;;/h3-14,23H,15-22,24H2,1-2H3,(H,36,41);2*1H.
What are the key properties of 1-[2-[4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-N',N'-dimethyl-4-phenylpiperidine-4-carbohydrazide;dihydrochloride?
1-[2-[4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-N',N'-dimethyl-4-phenylpiperidine-4-carbohydrazide;dihydrochloride has a molecular weight of 649.61 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-N',N'-dimethyl-4-phenylpiperidine-4-carbohydrazide;dihydrochloride is sourced from PubChem (CID 21200622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).