N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide

C25H31N3O2 — CID 53109848

IUPACN-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
SMILESCCC(=O)N1CCc2cc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)ccc21
InChIInChI=1S/C25H31N3O2/c1-2-24(29)28-16-12-22-18-21(10-11-23(22)28)19-6-8-20(9-7-19)25(30)26-13-17-27-14-4-3-5-15-27/h6-11,18H,2-5,12-17H2,1H3,(H,26,30)
InChIKeyYLXOIABACBWYKH-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.87
Rot. Bonds6

About N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide

N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide (PubChem CID 53109848) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
PubChem CID53109848
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
SMILESCCC(=O)N1CCc2cc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)ccc21
InChIInChI=1S/C25H31N3O2/c1-2-24(29)28-16-12-22-18-21(10-11-23(22)28)19-6-8-20(9-7-19)25(30)26-13-17-27-14-4-3-5-15-27/h6-11,18H,2-5,12-17H2,1H3,(H,26,30)
InChIKeyYLXOIABACBWYKH-UHFFFAOYSA-N
XLogP3.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109826
4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 53109916
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789985
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
CID 95086408
N-[(1-hydroxycyclohexyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111446079
N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55790102
N-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55788549
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-cycloheptylbenzamide
CID 53043799
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide
CID 53109968
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide?
The IUPAC name of N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide (CID 53109848) is N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide is CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)ccc21.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide?
The InChIKey is YLXOIABACBWYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-2-24(29)28-16-12-22-18-21(10-11-23(22)28)19-6-8-20(9-7-19)25(30)26-13-17-27-14-4-3-5-15-27/h6-11,18H,2-5,12-17H2,1H3,(H,26,30).
What are the key properties of N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide?
N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide has a molecular weight of 405.54 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide is sourced from PubChem (CID 53109848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).