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

C22H26FN3O — CID 67082537

IUPAC3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CC(N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H26FN3O/c23-19-7-4-8-20(14-19)24-22(27)26-15-21(16-26)25-11-9-18(10-12-25)13-17-5-2-1-3-6-17/h1-8,14,18,21H,9-13,15-16H2,(H,24,27)
InChIKeyOKGWVRDURKIZIL-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.00
Rot. Bonds4

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

3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide (PubChem CID 67082537) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
PubChem CID67082537
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CC(N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H26FN3O/c23-19-7-4-8-20(14-19)24-22(27)26-15-21(16-26)25-11-9-18(10-12-25)13-17-5-2-1-3-6-17/h1-8,14,18,21H,9-13,15-16H2,(H,24,27)
InChIKeyOKGWVRDURKIZIL-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

4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide
CID 23140030
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
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
CID 23140398
1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 108980004
3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride
CID 139034966
3-benzyl-N-(3-methylsulfinylphenyl)pyrrolidine-1-carboxamide
CID 71992201
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
(3S)-N-(3,5-difluorophenyl)-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 164638725

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide (CID 67082537) is 3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CC(N2CCC(Cc3ccccc3)CC2)C1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide?
The InChIKey is OKGWVRDURKIZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c23-19-7-4-8-20(14-19)24-22(27)26-15-21(16-26)25-11-9-18(10-12-25)13-17-5-2-1-3-6-17/h1-8,14,18,21H,9-13,15-16H2,(H,24,27).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide?
3-(4-benzylpiperidin-1-yl)-N-(3-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-(3-fluorophenyl)azetidine-1-carboxamide is sourced from PubChem (CID 67082537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).