5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide

C23H26FN5O3 — CID 144819110

IUPAC5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C23H26FN5O3/c24-18-4-1-16(2-5-18)22(31)28-11-13-29(14-12-28)23(32)17-3-6-20(26-15-17)21(30)27-19-7-9-25-10-8-19/h1-6,15,19,25H,7-14H2,(H,27,30)
InChIKeyWGGMNOCUMUQSPA-UHFFFAOYSA-N
MW439.49 g/mol
LogP1.30
Rot. Bonds4

About 5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide

5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide (PubChem CID 144819110) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is 5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide
PubChem CID144819110
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Name5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C23H26FN5O3/c24-18-4-1-16(2-5-18)22(31)28-11-13-29(14-12-28)23(32)17-3-6-20(26-15-17)21(30)27-19-7-9-25-10-8-19/h1-6,15,19,25H,7-14H2,(H,27,30)
InChIKeyWGGMNOCUMUQSPA-UHFFFAOYSA-N
XLogP1.30
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide
CID 123277304
N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110820443
5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide
CID 56650667
5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide
CID 56652713
5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 177042514
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710706
[4-[1-[6-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carbonyl]piperidine-4-carbonyl]phenyl]methanesulfinic acid
CID 175280544
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109182203
6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide
CID 123912499
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710372
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710576

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide?
The IUPAC name of 5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide (CID 144819110) is 5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide is O=C(NC1CCNCC1)c1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide?
The InChIKey is WGGMNOCUMUQSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3/c24-18-4-1-16(2-5-18)22(31)28-11-13-29(14-12-28)23(32)17-3-6-20(26-15-17)21(30)27-19-7-9-25-10-8-19/h1-6,15,19,25H,7-14H2,(H,27,30).
What are the key properties of 5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide?
5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 144819110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).