N-[4-(methoxymethyl)-1-[2-(2-oxo-3H-indol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide

C26H33N3O3 — CID 19772655

IUPACN-[4-(methoxymethyl)-1-[2-(2-oxo-3H-indol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C26H33N3O3/c1-3-24(30)29(22-10-5-4-6-11-22)26(20-32-2)13-15-27(16-14-26)17-18-28-23-12-8-7-9-21(23)19-25(28)31/h4-12H,3,13-20H2,1-2H3
InChIKeyKMZHNHUUGMCSMN-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.50
Rot. Bonds8

About N-[4-(methoxymethyl)-1-[2-(2-oxo-3H-indol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide

N-[4-(methoxymethyl)-1-[2-(2-oxo-3H-indol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 19772655) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-1-[2-(2-oxo-3H-indol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-1-[2-(2-oxo-3H-indol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID19772655
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-[4-(methoxymethyl)-1-[2-(2-oxo-3H-indol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C26H33N3O3/c1-3-24(30)29(22-10-5-4-6-11-22)26(20-32-2)13-15-27(16-14-26)17-18-28-23-12-8-7-9-21(23)19-25(28)31/h4-12H,3,13-20H2,1-2H3
InChIKeyKMZHNHUUGMCSMN-UHFFFAOYSA-N
XLogP3.50
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-1-[2-(2-oxo-3H-indol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[4-(methoxymethyl)-1-[2-(2-oxo-3H-indol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide (CID 19772655) is N-[4-(methoxymethyl)-1-[2-(2-oxo-3H-indol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[4-(methoxymethyl)-1-[2-(2-oxo-3H-indol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[4-(methoxymethyl)-1-[2-(2-oxo-3H-indol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2C(=O)Cc3ccccc32)CC1.
What is the InChIKey of N-[4-(methoxymethyl)-1-[2-(2-oxo-3H-indol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is KMZHNHUUGMCSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-3-24(30)29(22-10-5-4-6-11-22)26(20-32-2)13-15-27(16-14-26)17-18-28-23-12-8-7-9-21(23)19-25(28)31/h4-12H,3,13-20H2,1-2H3.
What are the key properties of N-[4-(methoxymethyl)-1-[2-(2-oxo-3H-indol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
N-[4-(methoxymethyl)-1-[2-(2-oxo-3H-indol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 435.57 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-1-[2-(2-oxo-3H-indol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 19772655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).