N-(2-hydroxyethyl)-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-methylpyrrolidine-2-carboxamide

C24H39N3O4 — CID 132766866

IUPACN-(2-hydroxyethyl)-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-methylpyrrolidine-2-carboxamide
SMILESCOc1cc(CN2CCCC2(C)C(=O)NCCO)ccc1OCCN1CCC(C)CC1
InChIInChI=1S/C24H39N3O4/c1-19-7-12-26(13-8-19)14-16-31-21-6-5-20(17-22(21)30-3)18-27-11-4-9-24(27,2)23(29)25-10-15-28/h5-6,17,19,28H,4,7-16,18H2,1-3H3,(H,25,29)
InChIKeyOKWRUBIBRIKSJE-UHFFFAOYSA-N
MW433.59 g/mol
LogP2.27
Rot. Bonds10

About N-(2-hydroxyethyl)-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-methylpyrrolidine-2-carboxamide

N-(2-hydroxyethyl)-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-methylpyrrolidine-2-carboxamide (PubChem CID 132766866) has the molecular formula C24H39N3O4 and a molecular weight of 433.59 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-methylpyrrolidine-2-carboxamide
PubChem CID132766866
Molecular FormulaC24H39N3O4
Molecular Weight433.59 g/mol
Exact Mass433.29
IUPAC NameN-(2-hydroxyethyl)-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-methylpyrrolidine-2-carboxamide
SMILESCOc1cc(CN2CCCC2(C)C(=O)NCCO)ccc1OCCN1CCC(C)CC1
InChIInChI=1S/C24H39N3O4/c1-19-7-12-26(13-8-19)14-16-31-21-6-5-20(17-22(21)30-3)18-27-11-4-9-24(27,2)23(29)25-10-15-28/h5-6,17,19,28H,4,7-16,18H2,1-3H3,(H,25,29)
InChIKeyOKWRUBIBRIKSJE-UHFFFAOYSA-N
XLogP2.27
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-hydroxyethyl)-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-methylpyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-methylpyrrolidine-2-carboxamide (CID 132766866) is N-(2-hydroxyethyl)-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-methylpyrrolidine-2-carboxamide is COc1cc(CN2CCCC2(C)C(=O)NCCO)ccc1OCCN1CCC(C)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-methylpyrrolidine-2-carboxamide?
The InChIKey is OKWRUBIBRIKSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O4/c1-19-7-12-26(13-8-19)14-16-31-21-6-5-20(17-22(21)30-3)18-27-11-4-9-24(27,2)23(29)25-10-15-28/h5-6,17,19,28H,4,7-16,18H2,1-3H3,(H,25,29).
What are the key properties of N-(2-hydroxyethyl)-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-methylpyrrolidine-2-carboxamide?
N-(2-hydroxyethyl)-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-methylpyrrolidine-2-carboxamide has a molecular weight of 433.59 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 132766866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).