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

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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).