N-[(4-fluorophenyl)methyl]-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide

C19H23FN4O3 — CID 87020602

IUPACN-[(4-fluorophenyl)methyl]-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide
SMILESCN1N=C(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)CCC1=O
InChIInChI=1S/C19H23FN4O3/c1-23-17(25)7-6-16(22-23)19(27)24-10-8-14(9-11-24)18(26)21-12-13-2-4-15(20)5-3-13/h2-5,14H,6-12H2,1H3,(H,21,26)
InChIKeyCDCJSJQKHFQCEY-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.29
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 87020602) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide
PubChem CID87020602
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide
SMILESCN1N=C(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)CCC1=O
InChIInChI=1S/C19H23FN4O3/c1-23-17(25)7-6-16(22-23)19(27)24-10-8-14(9-11-24)18(26)21-12-13-2-4-15(20)5-3-13/h2-5,14H,6-12H2,1H3,(H,21,26)
InChIKeyCDCJSJQKHFQCEY-UHFFFAOYSA-N
XLogP1.29
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 136534473
N-[(4-fluorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935481
N-[(4-fluorophenyl)methyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 78902093
N-[(4-fluorophenyl)methyl]-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]piperidine-4-carboxamide
CID 87046269
ethyl 3-(4-fluorophenyl)-3-[1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidin-4-yl]propanoate
CID 42951684
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 87020609
N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216
1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46476068
1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide
CID 131891851
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55800742
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide (CID 87020602) is N-[(4-fluorophenyl)methyl]-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide is CN1N=C(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)CCC1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is CDCJSJQKHFQCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-23-17(25)7-6-16(22-23)19(27)24-10-8-14(9-11-24)18(26)21-12-13-2-4-15(20)5-3-13/h2-5,14H,6-12H2,1H3,(H,21,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 87020602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).