N-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

C28H37N3O3 — CID 19772611

IUPACN-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2C(=O)C(C)(C)c3ccccc32)CC1
InChIInChI=1S/C28H37N3O3/c1-5-25(32)31(22-11-7-6-8-12-22)28(21-34-4)15-17-29(18-16-28)19-20-30-24-14-10-9-13-23(24)27(2,3)26(30)33/h6-14H,5,15-21H2,1-4H3
InChIKeyZYIAQEAGDHFMOS-UHFFFAOYSA-N
MW463.62 g/mol
LogP4.24
Rot. Bonds8

About N-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

N-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 19772611) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is N-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID19772611
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC NameN-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2C(=O)C(C)(C)c3ccccc32)CC1
InChIInChI=1S/C28H37N3O3/c1-5-25(32)31(22-11-7-6-8-12-22)28(21-34-4)15-17-29(18-16-28)19-20-30-24-14-10-9-13-23(24)27(2,3)26(30)33/h6-14H,5,15-21H2,1-4H3
InChIKeyZYIAQEAGDHFMOS-UHFFFAOYSA-N
XLogP4.24
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide 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

3-ethyl-3-{4-[4-(4-fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854187
6-methyl-1-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-3H-indol-2-one
CID 42598591
1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methyl-3H-indol-2-one
CID 42599070
{1-[2-(morpholin-4-yl)ethyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}propanedinitrile
CID 1873137
1-(1-Benzyl-piperidin-4-yl)-1,3-dihydro-indol-2-one
CID 3655995
3-ethyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
CID 9799433
1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-1,3-dihydro-indol-2-one
CID 10042904
(2R)-2-(cyclohexylmethyl)-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 11259697
1-{1-[1-(4-Cyclohexyl-phenyl)-ethyl]-piperidin-4-yl}-1,3-dihydro-indol-2-one
CID 11327115
1''-cyclooctylmethyl-1-methylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 11544654
Methyl 2-[1'-(cycloheptylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
CID 15982524
1-cyclohexylmethyl-1''-cyclooctylmethylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 15982526

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide (CID 19772611) is N-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2C(=O)C(C)(C)c3ccccc32)CC1.
What is the InChIKey of N-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is ZYIAQEAGDHFMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-5-25(32)31(22-11-7-6-8-12-22)28(21-34-4)15-17-29(18-16-28)19-20-30-24-14-10-9-13-23(24)27(2,3)26(30)33/h6-14H,5,15-21H2,1-4H3.
What are the key properties of N-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 463.62 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 19772611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).