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

C21H25F2N3O — CID 19772004

IUPAC4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C(NCc2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25F2N3O/c1-24-21(27)26-12-10-17(11-13-26)20(16-4-8-19(23)9-5-16)25-14-15-2-6-18(22)7-3-15/h2-9,17,20,25H,10-14H2,1H3,(H,24,27)
InChIKeyOZXPPTZZRRQTMY-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.85
Rot. Bonds5

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

4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]-N-methylpiperidine-1-carboxamide (PubChem CID 19772004) has the molecular formula C21H25F2N3O and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]-N-methylpiperidine-1-carboxamide
PubChem CID19772004
Molecular FormulaC21H25F2N3O
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C(NCc2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25F2N3O/c1-24-21(27)26-12-10-17(11-13-26)20(16-4-8-19(23)9-5-16)25-14-15-2-6-18(22)7-3-15/h2-9,17,20,25H,10-14H2,1H3,(H,24,27)
InChIKeyOZXPPTZZRRQTMY-UHFFFAOYSA-N
XLogP3.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine
CID 19772037
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 19771937
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438322
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438681
4-[(4-fluorophenyl)-(4-methylphenyl)methyl]-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 170231425
1-[4-[3-[4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone;dihydrochloride
CID 19772078
1-[4-[3-[4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone;hydrate;dihydrochloride
CID 70083400
bis(1-[4-[3-[4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone);hydrate;tetrahydrochloride
CID 173253138
N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide
CID 95573108
4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261
(1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 95598748
1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 43768785

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]-N-methylpiperidine-1-carboxamide (CID 19772004) is 4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C(NCc2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]-N-methylpiperidine-1-carboxamide?
The InChIKey is OZXPPTZZRRQTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O/c1-24-21(27)26-12-10-17(11-13-26)20(16-4-8-19(23)9-5-16)25-14-15-2-6-18(22)7-3-15/h2-9,17,20,25H,10-14H2,1H3,(H,24,27).
What are the key properties of 4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]-N-methylpiperidine-1-carboxamide?
4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 19772004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).