4-(4-fluorophenoxy)-N-(1-methylindol-7-yl)piperidine-1-carboxamide

C21H22FN3O2 — CID 126794316

IUPAC4-(4-fluorophenoxy)-N-(1-methylindol-7-yl)piperidine-1-carboxamide
SMILESCn1ccc2cccc(NC(=O)N3CCC(Oc4ccc(F)cc4)CC3)c21
InChIInChI=1S/C21H22FN3O2/c1-24-12-9-15-3-2-4-19(20(15)24)23-21(26)25-13-10-18(11-14-25)27-17-7-5-16(22)6-8-17/h2-9,12,18H,10-11,13-14H2,1H3,(H,23,26)
InChIKeyKIRFQHGFSJMZRU-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.39
Rot. Bonds3

About 4-(4-fluorophenoxy)-N-(1-methylindol-7-yl)piperidine-1-carboxamide

4-(4-fluorophenoxy)-N-(1-methylindol-7-yl)piperidine-1-carboxamide (PubChem CID 126794316) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-(1-methylindol-7-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-(1-methylindol-7-yl)piperidine-1-carboxamide
PubChem CID126794316
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name4-(4-fluorophenoxy)-N-(1-methylindol-7-yl)piperidine-1-carboxamide
SMILESCn1ccc2cccc(NC(=O)N3CCC(Oc4ccc(F)cc4)CC3)c21
InChIInChI=1S/C21H22FN3O2/c1-24-12-9-15-3-2-4-19(20(15)24)23-21(26)25-13-10-18(11-14-25)27-17-7-5-16(22)6-8-17/h2-9,12,18H,10-11,13-14H2,1H3,(H,23,26)
InChIKeyKIRFQHGFSJMZRU-UHFFFAOYSA-N
XLogP4.39
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 145485976
(3R)-3-(4-fluorophenoxy)-N-[(1-methylindol-5-yl)methyl]pyrrolidine-1-carboxamide
CID 146296940
N-(4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carboxamide
CID 90566506
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
N-(2-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carboxamide
CID 90566508
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 110396913
(2R)-N-(1-methylindol-7-yl)-2-thiophen-3-ylmorpholine-4-carboxamide
CID 124621987
[3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea
CID 119133483
4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 24733703
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 119945105
(2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 67530037

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-(1-methylindol-7-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-(1-methylindol-7-yl)piperidine-1-carboxamide (CID 126794316) is 4-(4-fluorophenoxy)-N-(1-methylindol-7-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-(1-methylindol-7-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-(1-methylindol-7-yl)piperidine-1-carboxamide is Cn1ccc2cccc(NC(=O)N3CCC(Oc4ccc(F)cc4)CC3)c21.
What is the InChIKey of 4-(4-fluorophenoxy)-N-(1-methylindol-7-yl)piperidine-1-carboxamide?
The InChIKey is KIRFQHGFSJMZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-24-12-9-15-3-2-4-19(20(15)24)23-21(26)25-13-10-18(11-14-25)27-17-7-5-16(22)6-8-17/h2-9,12,18H,10-11,13-14H2,1H3,(H,23,26).
What are the key properties of 4-(4-fluorophenoxy)-N-(1-methylindol-7-yl)piperidine-1-carboxamide?
4-(4-fluorophenoxy)-N-(1-methylindol-7-yl)piperidine-1-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-(1-methylindol-7-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126794316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).