1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide

C21H26FN3O2 — CID 155880014

IUPAC1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2cccc(OC)c2)CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C21H26FN3O2/c1-23-20(26)21(24-17-7-5-8-18(14-17)27-2)10-12-25(13-11-21)15-16-6-3-4-9-19(16)22/h3-9,14,24H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyAZGXXEXPZNGJRU-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.03
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide

1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide (PubChem CID 155880014) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
PubChem CID155880014
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2cccc(OC)c2)CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C21H26FN3O2/c1-23-20(26)21(24-17-7-5-8-18(14-17)27-2)10-12-25(13-11-21)15-16-6-3-4-9-19(16)22/h3-9,14,24H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyAZGXXEXPZNGJRU-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-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155879440
4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871260
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 9268335
1-(cyclobutanecarbonyl)-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155880079
4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155879946
methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate
CID 60993286
4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 155878961
4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155874149
1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 43919659
ethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate
CID 25455542
4-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155873379
1-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 2874367

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide (CID 155880014) is 1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide is CNC(=O)C1(Nc2cccc(OC)c2)CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide?
The InChIKey is AZGXXEXPZNGJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-23-20(26)21(24-17-7-5-8-18(14-17)27-2)10-12-25(13-11-21)15-16-6-3-4-9-19(16)22/h3-9,14,24H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide?
1-[(2-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-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 155880014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).