1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide

C23H26FN3O2 — CID 53160376

IUPAC1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C23H26FN3O2/c24-20-8-6-18(7-9-20)23(29)27-14-10-17-4-5-19(16-21(17)27)22(28)25-11-15-26-12-2-1-3-13-26/h4-9,16H,1-3,10-15H2,(H,25,28)
InChIKeyPACGJUZTFIBDRM-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.24
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide

1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide (PubChem CID 53160376) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide
PubChem CID53160376
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C23H26FN3O2/c24-20-8-6-18(7-9-20)23(29)27-14-10-17-4-5-19(16-21(17)27)22(28)25-11-15-26-12-2-1-3-13-26/h4-9,16H,1-3,10-15H2,(H,25,28)
InChIKeyPACGJUZTFIBDRM-UHFFFAOYSA-N
XLogP3.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide
CID 53160375
1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide
CID 53160350
1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide
CID 50847714
N-[2-(azepan-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998667
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide
CID 53160371
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
[4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502194
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105
N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109848
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide (CID 53160376) is 1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide is O=C(NCCN1CCCCC1)c1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide?
The InChIKey is PACGJUZTFIBDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-20-8-6-18(7-9-20)23(29)27-14-10-17-4-5-19(16-21(17)27)22(28)25-11-15-26-12-2-1-3-13-26/h4-9,16H,1-3,10-15H2,(H,25,28).
What are the key properties of 1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide?
1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 53160376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).