4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one

C21H25N3O2 — CID 172891645

IUPAC4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1ccc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)cc1=O
InChIInChI=1S/C21H25N3O2/c1-22-10-6-16(14-20(22)25)15-23-11-7-18(8-12-23)21(26)24-13-9-17-4-2-3-5-19(17)24/h2-6,10,14,18H,7-9,11-13,15H2,1H3
InChIKeyZPJWHQXIYFAOPJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.19
Rot. Bonds3

About 4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one

4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 172891645) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID172891645
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1ccc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)cc1=O
InChIInChI=1S/C21H25N3O2/c1-22-10-6-16(14-20(22)25)15-23-11-7-18(8-12-23)21(26)24-13-9-17-4-2-3-5-19(17)24/h2-6,10,14,18H,7-9,11-13,15H2,1H3
InChIKeyZPJWHQXIYFAOPJ-UHFFFAOYSA-N
XLogP2.19
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone
CID 38106377
2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904104
2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone
CID 172891765
2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904110
[1-(cyclobutylmethyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172901228
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
3-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 172891401
1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one
CID 47545020
N-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 75462417
2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone
CID 120899277
4-(2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 110682120
2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926284

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one (CID 172891645) is 4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one is Cn1ccc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)cc1=O.
What is the InChIKey of 4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is ZPJWHQXIYFAOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-22-10-6-16(14-20(22)25)15-23-11-7-18(8-12-23)21(26)24-13-9-17-4-2-3-5-19(17)24/h2-6,10,14,18H,7-9,11-13,15H2,1H3.
What are the key properties of 4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one?
4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 351.45 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 172891645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).