5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide

C32H35FN4O4 — CID 66710693

IUPAC5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C32H35FN4O4/c1-41-28-9-2-22(3-10-28)21-36-16-14-27(15-17-36)35-31(39)29-11-6-25(20-34-29)32(40)37-18-12-24(13-19-37)30(38)23-4-7-26(33)8-5-23/h2-11,20,24,27H,12-19,21H2,1H3,(H,35,39)
InChIKeyKXKXMISUTNBPTD-UHFFFAOYSA-N
MW558.65 g/mol
LogP4.36
Rot. Bonds8

About 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide

5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 66710693) has the molecular formula C32H35FN4O4 and a molecular weight of 558.65 g/mol. Its IUPAC name is 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID66710693
Molecular FormulaC32H35FN4O4
Molecular Weight558.65 g/mol
Exact Mass558.26
IUPAC Name5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C32H35FN4O4/c1-41-28-9-2-22(3-10-28)21-36-16-14-27(15-17-36)35-31(39)29-11-6-25(20-34-29)32(40)37-18-12-24(13-19-37)30(38)23-4-7-26(33)8-5-23/h2-11,20,24,27H,12-19,21H2,1H3,(H,35,39)
InChIKeyKXKXMISUTNBPTD-UHFFFAOYSA-N
XLogP4.36
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.65
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide (CID 66710693) is 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide is COc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is KXKXMISUTNBPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN4O4/c1-41-28-9-2-22(3-10-28)21-36-16-14-27(15-17-36)35-31(39)29-11-6-25(20-34-29)32(40)37-18-12-24(13-19-37)30(38)23-4-7-26(33)8-5-23/h2-11,20,24,27H,12-19,21H2,1H3,(H,35,39).
What are the key properties of 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 558.65 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 66710693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).