1-acetyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide

C22H33N3O2 — CID 60569309

IUPAC1-acetyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NCC(C)(C)N3CC(C)CC(C)C3)ccc21
InChIInChI=1S/C22H33N3O2/c1-15-10-16(2)13-24(12-15)22(4,5)14-23-21(27)19-6-7-20-18(11-19)8-9-25(20)17(3)26/h6-7,11,15-16H,8-10,12-14H2,1-5H3,(H,23,27)
InChIKeySGRCNNXPYYVQOT-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.08
Rot. Bonds4

About 1-acetyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 60569309) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-acetyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
PubChem CID60569309
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name1-acetyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NCC(C)(C)N3CC(C)CC(C)C3)ccc21
InChIInChI=1S/C22H33N3O2/c1-15-10-16(2)13-24(12-15)22(4,5)14-23-21(27)19-6-7-20-18(11-19)8-9-25(20)17(3)26/h6-7,11,15-16H,8-10,12-14H2,1-5H3,(H,23,27)
InChIKeySGRCNNXPYYVQOT-UHFFFAOYSA-N
XLogP3.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
CID 55903162
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119259944
benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate
CID 30581650
1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide
CID 119260114
1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 119260435
1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 24550296
1-acetyl-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydroindole-5-carboxamide
CID 94006613
1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119260434

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide (CID 60569309) is 1-acetyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)NCC(C)(C)N3CC(C)CC(C)C3)ccc21.
What is the InChIKey of 1-acetyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is SGRCNNXPYYVQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-15-10-16(2)13-24(12-15)22(4,5)14-23-21(27)19-6-7-20-18(11-19)8-9-25(20)17(3)26/h6-7,11,15-16H,8-10,12-14H2,1-5H3,(H,23,27).
What are the key properties of 1-acetyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 60569309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).