3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzamide

C23H27N3O2 — CID 157103593

IUPAC3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CC(=O)N2CCC(N3CCc4ccccc43)CC2)c1
InChIInChI=1S/C23H27N3O2/c1-24-23(28)19-7-4-5-17(15-19)16-22(27)25-12-10-20(11-13-25)26-14-9-18-6-2-3-8-21(18)26/h2-8,15,20H,9-14,16H2,1H3,(H,24,28)
InChIKeyAGAUUFBXQFCLRN-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.64
Rot. Bonds4

About 3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzamide

3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzamide (PubChem CID 157103593) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzamide
PubChem CID157103593
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CC(=O)N2CCC(N3CCc4ccccc43)CC2)c1
InChIInChI=1S/C23H27N3O2/c1-24-23(28)19-7-4-5-17(15-19)16-22(27)25-12-10-20(11-13-25)26-14-9-18-6-2-3-8-21(18)26/h2-8,15,20H,9-14,16H2,1H3,(H,24,28)
InChIKeyAGAUUFBXQFCLRN-UHFFFAOYSA-N
XLogP2.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 53015005
1-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 136524186
1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 159850532
3-[3-(1,4-diazabicyclo[3.2.1]octan-4-yl)-3-oxopropyl]-N-methylbenzamide
CID 138035784
3-[2-oxo-2-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]ethyl]benzoic acid
CID 175101505
3-[2-[[N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111632257
3-ethyl-N-methylbenzamide
CID 59115297
(4R)-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]azepane-1-carboxamide
CID 95041605
N-methyl-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592518
2-(3-benzoylphenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone
CID 12805065
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
3-[2-(4-methylidenepiperidin-1-yl)-2-oxoethyl]benzoic acid
CID 120691863

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzamide (CID 157103593) is 3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzamide is CNC(=O)c1cccc(CC(=O)N2CCC(N3CCc4ccccc43)CC2)c1.
What is the InChIKey of 3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is AGAUUFBXQFCLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-24-23(28)19-7-4-5-17(15-19)16-22(27)25-12-10-20(11-13-25)26-14-9-18-6-2-3-8-21(18)26/h2-8,15,20H,9-14,16H2,1H3,(H,24,28).
What are the key properties of 3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzamide?
3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 377.49 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 157103593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).