N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide

C31H34F2N4O4 — CID 66710188

IUPACN-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESCOc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5cc(F)cc(F)c5)CC4)nc3)CC2)cc1
InChIInChI=1S/C31H34F2N4O4/c1-40-26-3-5-27(6-4-26)41-28-10-14-37(15-11-28)31(39)22-2-7-29(34-19-22)30(38)35-25-8-12-36(13-9-25)20-21-16-23(32)18-24(33)17-21/h2-7,16-19,25,28H,8-15,20H2,1H3,(H,35,38)
InChIKeyHIVGHAUHDXNYQB-UHFFFAOYSA-N
MW564.63 g/mol
LogP4.45
Rot. Bonds8

About N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide

N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 66710188) has the molecular formula C31H34F2N4O4 and a molecular weight of 564.63 g/mol. Its IUPAC name is N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
PubChem CID66710188
Molecular FormulaC31H34F2N4O4
Molecular Weight564.63 g/mol
Exact Mass564.25
IUPAC NameN-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESCOc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5cc(F)cc(F)c5)CC4)nc3)CC2)cc1
InChIInChI=1S/C31H34F2N4O4/c1-40-26-3-5-27(6-4-26)41-28-10-14-37(15-11-28)31(39)22-2-7-29(34-19-22)30(38)35-25-8-12-36(13-9-25)20-21-16-23(32)18-24(33)17-21/h2-7,16-19,25,28H,8-15,20H2,1H3,(H,35,38)
InChIKeyHIVGHAUHDXNYQB-UHFFFAOYSA-N
XLogP4.45
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.63
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide (CID 66710188) is N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide is COc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5cc(F)cc(F)c5)CC4)nc3)CC2)cc1.
What is the InChIKey of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is HIVGHAUHDXNYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F2N4O4/c1-40-26-3-5-27(6-4-26)41-28-10-14-37(15-11-28)31(39)22-2-7-29(34-19-22)30(38)35-25-8-12-36(13-9-25)20-21-16-23(32)18-24(33)17-21/h2-7,16-19,25,28H,8-15,20H2,1H3,(H,35,38).
What are the key properties of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide?
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 564.63 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 66710188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).