1-(difluoromethyl)-5-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrrole-2-carboxamide

C19H23F2N3O2 — CID 131951976

IUPAC1-(difluoromethyl)-5-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)n1C(F)F
InChIInChI=1S/C19H23F2N3O2/c1-13-3-8-17(24(13)19(20)21)18(25)22-14-4-6-15(7-5-14)26-16-9-11-23(2)12-10-16/h3-8,16,19H,9-12H2,1-2H3,(H,22,25)
InChIKeyYFYUZTCDJIHFOF-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.92
Rot. Bonds5

About 1-(difluoromethyl)-5-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrrole-2-carboxamide

1-(difluoromethyl)-5-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrrole-2-carboxamide (PubChem CID 131951976) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrrole-2-carboxamide
PubChem CID131951976
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name1-(difluoromethyl)-5-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)n1C(F)F
InChIInChI=1S/C19H23F2N3O2/c1-13-3-8-17(24(13)19(20)21)18(25)22-14-4-6-15(7-5-14)26-16-9-11-23(2)12-10-16/h3-8,16,19H,9-12H2,1-2H3,(H,22,25)
InChIKeyYFYUZTCDJIHFOF-UHFFFAOYSA-N
XLogP3.92
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 53277962
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide
CID 131913221
5-(difluoromethyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazole-3-carboxamide;formic acid
CID 154912795
4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 53278475
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 56983177
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide
CID 131934085
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 131890028
5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
CID 131939316
(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99971545

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrrole-2-carboxamide?
The IUPAC name of 1-(difluoromethyl)-5-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrrole-2-carboxamide (CID 131951976) is 1-(difluoromethyl)-5-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrrole-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)n1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrrole-2-carboxamide?
The InChIKey is YFYUZTCDJIHFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-13-3-8-17(24(13)19(20)21)18(25)22-14-4-6-15(7-5-14)26-16-9-11-23(2)12-10-16/h3-8,16,19H,9-12H2,1-2H3,(H,22,25).
What are the key properties of 1-(difluoromethyl)-5-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrrole-2-carboxamide?
1-(difluoromethyl)-5-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrrole-2-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 131951976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).