4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C19H23FN4O — CID 155874149

IUPAC4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H23FN4O/c1-21-18(25)19(23-16-7-4-5-15(20)13-16)8-11-24(12-9-19)14-17-6-2-3-10-22-17/h2-7,10,13,23H,8-9,11-12,14H2,1H3,(H,21,25)
InChIKeySEDLDEPHXOFIDR-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.41
Rot. Bonds5

About 4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 155874149) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID155874149
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H23FN4O/c1-21-18(25)19(23-16-7-4-5-15(20)13-16)8-11-24(12-9-19)14-17-6-2-3-10-22-17/h2-7,10,13,23H,8-9,11-12,14H2,1H3,(H,21,25)
InChIKeySEDLDEPHXOFIDR-UHFFFAOYSA-N
XLogP2.41
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155878721
4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155873313
4-(3-fluoroanilino)-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 155872147
4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871260
4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 155871466
3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 155875888
1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155879288
1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155872854
1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155879440
4-(3-fluoroanilino)-N-methyl-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
CID 155871376
1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155880014
3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide
CID 155873897

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 155874149) is 4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is CNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2ccccn2)CC1.
What is the InChIKey of 4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is SEDLDEPHXOFIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-21-18(25)19(23-16-7-4-5-15(20)13-16)8-11-24(12-9-19)14-17-6-2-3-10-22-17/h2-7,10,13,23H,8-9,11-12,14H2,1H3,(H,21,25).
What are the key properties of 4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 155874149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).