3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide

C24H29N3O2 — CID 108956522

IUPAC3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide
SMILESCC1CCN(c2ccc(NC(=O)CC(=O)N3c4ccccc4CC3C)cc2)CC1
InChIInChI=1S/C24H29N3O2/c1-17-11-13-26(14-12-17)21-9-7-20(8-10-21)25-23(28)16-24(29)27-18(2)15-19-5-3-4-6-22(19)27/h3-10,17-18H,11-16H2,1-2H3,(H,25,28)
InChIKeyNDJPBKDEXVBXOC-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.23
Rot. Bonds4

About 3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide

3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide (PubChem CID 108956522) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide.

Molecular Properties

Compound Name3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide
PubChem CID108956522
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide
SMILESCC1CCN(c2ccc(NC(=O)CC(=O)N3c4ccccc4CC3C)cc2)CC1
InChIInChI=1S/C24H29N3O2/c1-17-11-13-26(14-12-17)21-9-7-20(8-10-21)25-23(28)16-24(29)27-18(2)15-19-5-3-4-6-22(19)27/h3-10,17-18H,11-16H2,1-2H3,(H,25,28)
InChIKeyNDJPBKDEXVBXOC-UHFFFAOYSA-N
XLogP4.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone
CID 109010553
methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592833
N-(3,4-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108956828
N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108955284
2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109007272
3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide
CID 108956535
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108954785
3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 108942827
N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
CID 108946159
2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729209
2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 28712286

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide?
The IUPAC name of 3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide (CID 108956522) is 3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide.
What is the SMILES notation for 3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide?
The canonical SMILES for 3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide is CC1CCN(c2ccc(NC(=O)CC(=O)N3c4ccccc4CC3C)cc2)CC1.
What is the InChIKey of 3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide?
The InChIKey is NDJPBKDEXVBXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17-11-13-26(14-12-17)21-9-7-20(8-10-21)25-23(28)16-24(29)27-18(2)15-19-5-3-4-6-22(19)27/h3-10,17-18H,11-16H2,1-2H3,(H,25,28).
What are the key properties of 3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide?
3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide has a molecular weight of 391.52 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide is sourced from PubChem (CID 108956522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).