N-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide

C26H26FN5O3 — CID 90012334

IUPACN-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
SMILESO=C(c1ccc(F)cc1)N1CCC(Oc2ccc(N(C(=O)C3CNC3)c3cccnn3)cc2)CC1
InChIInChI=1S/C26H26FN5O3/c27-20-5-3-18(4-6-20)25(33)31-14-11-23(12-15-31)35-22-9-7-21(8-10-22)32(24-2-1-13-29-30-24)26(34)19-16-28-17-19/h1-10,13,19,23,28H,11-12,14-17H2
InChIKeyNOPDFAPJIZHSDF-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.18
Rot. Bonds6

About N-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide

N-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide (PubChem CID 90012334) has the molecular formula C26H26FN5O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is N-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
PubChem CID90012334
Molecular FormulaC26H26FN5O3
Molecular Weight475.52 g/mol
Exact Mass475.20
IUPAC NameN-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
SMILESO=C(c1ccc(F)cc1)N1CCC(Oc2ccc(N(C(=O)C3CNC3)c3cccnn3)cc2)CC1
InChIInChI=1S/C26H26FN5O3/c27-20-5-3-18(4-6-20)25(33)31-14-11-23(12-15-31)35-22-9-7-21(8-10-22)32(24-2-1-13-29-30-24)26(34)19-16-28-17-19/h1-10,13,19,23,28H,11-12,14-17H2
InChIKeyNOPDFAPJIZHSDF-UHFFFAOYSA-N
XLogP3.18
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012619
(3S)-N-[4-[1-(2-methylcyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 90013026
N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide
CID 90012798
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]sulfonylphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012472
(3S)-N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 90012897
N-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012466
tert-butyl 4-[4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]phenyl]piperidine-1-carboxylate
CID 90012282
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90013185
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90012060
[4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea
CID 119133486

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide?
The IUPAC name of N-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide (CID 90012334) is N-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide?
The canonical SMILES for N-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide is O=C(c1ccc(F)cc1)N1CCC(Oc2ccc(N(C(=O)C3CNC3)c3cccnn3)cc2)CC1.
What is the InChIKey of N-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide?
The InChIKey is NOPDFAPJIZHSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O3/c27-20-5-3-18(4-6-20)25(33)31-14-11-23(12-15-31)35-22-9-7-21(8-10-22)32(24-2-1-13-29-30-24)26(34)19-16-28-17-19/h1-10,13,19,23,28H,11-12,14-17H2.
What are the key properties of N-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide?
N-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide is sourced from PubChem (CID 90012334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).