4-(3-fluorophenoxy)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid

C19H24FN3O3 — CID 70746243

IUPAC4-(3-fluorophenoxy)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
SMILESCCCn1ccnc1CN1CCC(Oc2cccc(F)c2)(C(=O)O)CC1
InChIInChI=1S/C19H24FN3O3/c1-2-9-23-12-8-21-17(23)14-22-10-6-19(7-11-22,18(24)25)26-16-5-3-4-15(20)13-16/h3-5,8,12-13H,2,6-7,9-11,14H2,1H3,(H,24,25)
InChIKeyLEFOGQUYBMTBEE-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.93
Rot. Bonds7

About 4-(3-fluorophenoxy)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid

4-(3-fluorophenoxy)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 70746243) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
PubChem CID70746243
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name4-(3-fluorophenoxy)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
SMILESCCCn1ccnc1CN1CCC(Oc2cccc(F)c2)(C(=O)O)CC1
InChIInChI=1S/C19H24FN3O3/c1-2-9-23-12-8-21-17(23)14-22-10-6-19(7-11-22,18(24)25)26-16-5-3-4-15(20)13-16/h3-5,8,12-13H,2,6-7,9-11,14H2,1H3,(H,24,25)
InChIKeyLEFOGQUYBMTBEE-UHFFFAOYSA-N
XLogP2.93
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(3-fluorophenoxy)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid (CID 70746243) is 4-(3-fluorophenoxy)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-fluorophenoxy)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-fluorophenoxy)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid is CCCn1ccnc1CN1CCC(Oc2cccc(F)c2)(C(=O)O)CC1.
What is the InChIKey of 4-(3-fluorophenoxy)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is LEFOGQUYBMTBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-2-9-23-12-8-21-17(23)14-22-10-6-19(7-11-22,18(24)25)26-16-5-3-4-15(20)13-16/h3-5,8,12-13H,2,6-7,9-11,14H2,1H3,(H,24,25).
What are the key properties of 4-(3-fluorophenoxy)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid?
4-(3-fluorophenoxy)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 361.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-1-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 70746243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).