3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide

C22H26FN3O — CID 23140030

IUPAC3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CC(N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H26FN3O/c23-19-6-8-20(9-7-19)24-22(27)26-15-21(16-26)25-12-10-18(11-13-25)14-17-4-2-1-3-5-17/h1-9,18,21H,10-16H2,(H,24,27)
InChIKeyYWDMHOJLFDKDLA-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.00
Rot. Bonds4

About 3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide

3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide (PubChem CID 23140030) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide
PubChem CID23140030
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CC(N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H26FN3O/c23-19-6-8-20(9-7-19)24-22(27)26-15-21(16-26)25-12-10-18(11-13-25)14-17-4-2-1-3-5-17/h1-9,18,21H,10-16H2,(H,24,27)
InChIKeyYWDMHOJLFDKDLA-UHFFFAOYSA-N
XLogP4.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
CID 67082537
3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide
CID 23140490
N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide
CID 23139846
3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide
CID 23140585
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
N-(4-fluorophenyl)-3-morpholin-4-ylazetidine-1-carboxamide
CID 23140323
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 42693679
3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138996907
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide (CID 23140030) is 3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CC(N2CCC(Cc3ccccc3)CC2)C1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide?
The InChIKey is YWDMHOJLFDKDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c23-19-6-8-20(9-7-19)24-22(27)26-15-21(16-26)25-12-10-18(11-13-25)14-17-4-2-1-3-5-17/h1-9,18,21H,10-16H2,(H,24,27).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide?
3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide is sourced from PubChem (CID 23140030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).