N-[(4-fluorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

C21H26FN5O2 — CID 50785597

IUPACN-[(4-fluorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCCN(c2ccc(N3CCOCC3)nn2)C1
InChIInChI=1S/C21H26FN5O2/c22-18-5-3-16(4-6-18)14-23-21(28)17-2-1-9-27(15-17)20-8-7-19(24-25-20)26-10-12-29-13-11-26/h3-8,17H,1-2,9-15H2,(H,23,28)
InChIKeyWMLPYJRAVCTNPY-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.99
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 50785597) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID50785597
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCCN(c2ccc(N3CCOCC3)nn2)C1
InChIInChI=1S/C21H26FN5O2/c22-18-5-3-16(4-6-18)14-23-21(28)17-2-1-9-27(15-17)20-8-7-19(24-25-20)26-10-12-29-13-11-26/h3-8,17H,1-2,9-15H2,(H,23,28)
InChIKeyWMLPYJRAVCTNPY-UHFFFAOYSA-N
XLogP1.99
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[1-(6-Morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 3243074
4-{6-[4-(4-Methylbenzoyl)piperazin-1-yl]pyridazin-3-yl}morpholine
CID 7292471
3-[3,5-dimethyl-1-(6-morpholino-3-pyridazinyl)-1H-pyrazol-4-yl]-N-(4-fluorobenzyl)propanamide
CID 16027026
(4-Fluorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292481
US10138230, Example F149
CID 122445962
US10138230, Example F180
CID 122445965
US11319299, Example 384
CID 164608042
4-[6-(4-{[4-(4-Fluorophenyl)piperazin-1-yl]carbonyl}piperidin-1-yl)pyridazin-3-yl]morpholine
CID 3243752
(4-(6-Morpholinopyridazin-3-yl)piperazin-1-yl)(phenyl)methanone
CID 7292469
(4-(6-Morpholinopyridazin-3-yl)piperazin-1-yl)(4-(trifluoromethyl)phenyl)methanone
CID 7292488
3-{3,5-Dimethyl-1-[6-(morpholin-4-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-N-[(2-fluorophenyl)methyl]propanamide
CID 16027078
1-[(4-Fluorophenyl)methyl]-3-{3-[6-(morpholin-4-YL)pyridazin-3-YL]phenyl}urea
CID 53154129

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 50785597) is N-[(4-fluorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is O=C(NCc1ccc(F)cc1)C1CCCN(c2ccc(N3CCOCC3)nn2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is WMLPYJRAVCTNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O2/c22-18-5-3-16(4-6-18)14-23-21(28)17-2-1-9-27(15-17)20-8-7-19(24-25-20)26-10-12-29-13-11-26/h3-8,17H,1-2,9-15H2,(H,23,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 50785597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).