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

C32H35FN4O4 — CID 66710494

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(F)cc5)CC4)nc3)CC2)cc1
InChIInChI=1S/C32H35FN4O4/c1-41-28-9-4-23(5-10-28)30(38)24-12-18-37(19-13-24)32(40)25-6-11-29(34-20-25)31(39)35-27-14-16-36(17-15-27)21-22-2-7-26(33)8-3-22/h2-11,20,24,27H,12-19,21H2,1H3,(H,35,39)
InChIKeyHMMQLGQVAFWIOP-UHFFFAOYSA-N
MW558.65 g/mol
LogP4.36
Rot. Bonds8

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

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 66710494) has the molecular formula C32H35FN4O4 and a molecular weight of 558.65 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
PubChem CID66710494
Molecular FormulaC32H35FN4O4
Molecular Weight558.65 g/mol
Exact Mass558.26
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(F)cc5)CC4)nc3)CC2)cc1
InChIInChI=1S/C32H35FN4O4/c1-41-28-9-4-23(5-10-28)30(38)24-12-18-37(19-13-24)32(40)25-6-11-29(34-20-25)31(39)35-27-14-16-36(17-15-27)21-22-2-7-26(33)8-3-22/h2-11,20,24,27H,12-19,21H2,1H3,(H,35,39)
InChIKeyHMMQLGQVAFWIOP-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 N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide (CID 66710494) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(F)cc5)CC4)nc3)CC2)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is HMMQLGQVAFWIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN4O4/c1-41-28-9-4-23(5-10-28)30(38)24-12-18-37(19-13-24)32(40)25-6-11-29(34-20-25)31(39)35-27-14-16-36(17-15-27)21-22-2-7-26(33)8-3-22/h2-11,20,24,27H,12-19,21H2,1H3,(H,35,39).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]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 N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 66710494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).