3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide

C19H28FN3O2 — CID 121494905

IUPAC3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide
SMILESCC(C)N1CCCC(CNC(=O)N2CC(Oc3ccc(F)cc3)C2)C1
InChIInChI=1S/C19H28FN3O2/c1-14(2)22-9-3-4-15(11-22)10-21-19(24)23-12-18(13-23)25-17-7-5-16(20)6-8-17/h5-8,14-15,18H,3-4,9-13H2,1-2H3,(H,21,24)
InChIKeySQGNQTRYPWOLCK-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.72
Rot. Bonds5

About 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide

3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide (PubChem CID 121494905) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide
PubChem CID121494905
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide
SMILESCC(C)N1CCCC(CNC(=O)N2CC(Oc3ccc(F)cc3)C2)C1
InChIInChI=1S/C19H28FN3O2/c1-14(2)22-9-3-4-15(11-22)10-21-19(24)23-12-18(13-23)25-17-7-5-16(20)6-8-17/h5-8,14-15,18H,3-4,9-13H2,1-2H3,(H,21,24)
InChIKeySQGNQTRYPWOLCK-UHFFFAOYSA-N
XLogP2.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenoxy)-1-propan-2-ylpiperidine
CID 138636971
3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 53464585
(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide
CID 99970481
1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111678697
5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 60616293
3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide
CID 127287267
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 52510251
(3S)-1-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81118903
4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide
CID 119061623
1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 94800132
1-[2-(2-fluorophenoxy)propyl]-2-methyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 111684912

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide (CID 121494905) is 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide is CC(C)N1CCCC(CNC(=O)N2CC(Oc3ccc(F)cc3)C2)C1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide?
The InChIKey is SQGNQTRYPWOLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-14(2)22-9-3-4-15(11-22)10-21-19(24)23-12-18(13-23)25-17-7-5-16(20)6-8-17/h5-8,14-15,18H,3-4,9-13H2,1-2H3,(H,21,24).
What are the key properties of 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide?
3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide has a molecular weight of 349.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 121494905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).