1-[(3-fluorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)-3H-indol-2-one

C22H23FN2O2 — CID 71840604

IUPAC1-[(3-fluorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)-3H-indol-2-one
SMILESCC1CCN(C(=O)c2ccc3c(c2)CC(=O)N3Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H23FN2O2/c1-15-7-9-24(10-8-15)22(27)17-5-6-20-18(12-17)13-21(26)25(20)14-16-3-2-4-19(23)11-16/h2-6,11-12,15H,7-10,13-14H2,1H3
InChIKeyGOKCEGFAWPGUHE-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.79
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)-3H-indol-2-one

1-[(3-fluorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)-3H-indol-2-one (PubChem CID 71840604) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)-3H-indol-2-one
PubChem CID71840604
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name1-[(3-fluorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)-3H-indol-2-one
SMILESCC1CCN(C(=O)c2ccc3c(c2)CC(=O)N3Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H23FN2O2/c1-15-7-9-24(10-8-15)22(27)17-5-6-20-18(12-17)13-21(26)25(20)14-16-3-2-4-19(23)11-16/h2-6,11-12,15H,7-10,13-14H2,1H3
InChIKeyGOKCEGFAWPGUHE-UHFFFAOYSA-N
XLogP3.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)-3H-indol-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)-3H-indol-2-one (CID 71840604) is 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)-3H-indol-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)-3H-indol-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)-3H-indol-2-one is CC1CCN(C(=O)c2ccc3c(c2)CC(=O)N3Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)-3H-indol-2-one?
The InChIKey is GOKCEGFAWPGUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-15-7-9-24(10-8-15)22(27)17-5-6-20-18(12-17)13-21(26)25(20)14-16-3-2-4-19(23)11-16/h2-6,11-12,15H,7-10,13-14H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)-3H-indol-2-one?
1-[(3-fluorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)-3H-indol-2-one has a molecular weight of 366.44 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)-3H-indol-2-one is sourced from PubChem (CID 71840604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).