1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide

C21H26FN3O2 — CID 155879440

IUPAC1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2cccc(OC)c2)CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FN3O2/c1-23-20(26)21(24-18-4-3-5-19(14-18)27-2)10-12-25(13-11-21)15-16-6-8-17(22)9-7-16/h3-9,14,24H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyINMGLAPMARXSDF-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.03
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide

1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide (PubChem CID 155879440) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
PubChem CID155879440
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2cccc(OC)c2)CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FN3O2/c1-23-20(26)21(24-18-4-3-5-19(14-18)27-2)10-12-25(13-11-21)15-16-6-8-17(22)9-7-16/h3-9,14,24H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyINMGLAPMARXSDF-UHFFFAOYSA-N
XLogP3.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155880014
1-(cyclobutanecarbonyl)-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155880079
3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 155875888
4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155874133
4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871260
methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate
CID 60993286
4-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155873379
4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 155878961
1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155879288
4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155873313
4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155874149
4-(3-fluoroanilino)-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 155872147

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide (CID 155879440) is 1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide is CNC(=O)C1(Nc2cccc(OC)c2)CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide?
The InChIKey is INMGLAPMARXSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-23-20(26)21(24-18-4-3-5-19(14-18)27-2)10-12-25(13-11-21)15-16-6-8-17(22)9-7-16/h3-9,14,24H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide?
1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 155879440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).