4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide

C25H29F2N3O3 — CID 139518773

IUPAC4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1OC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C25H29F2N3O3/c1-17-4-5-20(29-23(31)18-6-10-25(26,27)11-7-18)15-22(17)33-21-8-13-30(14-9-21)24(32)19-3-2-12-28-16-19/h2-5,12,15-16,18,21H,6-11,13-14H2,1H3,(H,29,31)
InChIKeyXQQYGNQAJKOPTE-UHFFFAOYSA-N
MW457.52 g/mol
LogP4.84
Rot. Bonds5

About 4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide

4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide (PubChem CID 139518773) has the molecular formula C25H29F2N3O3 and a molecular weight of 457.52 g/mol. Its IUPAC name is 4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide
PubChem CID139518773
Molecular FormulaC25H29F2N3O3
Molecular Weight457.52 g/mol
Exact Mass457.22
IUPAC Name4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1OC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C25H29F2N3O3/c1-17-4-5-20(29-23(31)18-6-10-25(26,27)11-7-18)15-22(17)33-21-8-13-30(14-9-21)24(32)19-3-2-12-28-16-19/h2-5,12,15-16,18,21H,6-11,13-14H2,1H3,(H,29,31)
InChIKeyXQQYGNQAJKOPTE-UHFFFAOYSA-N
XLogP4.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 127044443
[4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 137466986
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
N-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 137467019
N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 37070969
N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 39499134
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 56796144
1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17223654
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 25342627
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide (CID 139518773) is 4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1OC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide?
The InChIKey is XQQYGNQAJKOPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N3O3/c1-17-4-5-20(29-23(31)18-6-10-25(26,27)11-7-18)15-22(17)33-21-8-13-30(14-9-21)24(32)19-3-2-12-28-16-19/h2-5,12,15-16,18,21H,6-11,13-14H2,1H3,(H,29,31).
What are the key properties of 4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide has a molecular weight of 457.52 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 139518773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).