2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide

C26H35N3O3 — CID 40948997

IUPAC2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide
SMILESCOc1cccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1
InChIInChI=1S/C26H35N3O3/c1-28-13-7-8-20-16-21(11-12-24(20)28)25(29-14-4-3-5-15-29)18-27-26(30)19-32-23-10-6-9-22(17-23)31-2/h6,9-12,16-17,25H,3-5,7-8,13-15,18-19H2,1-2H3,(H,27,30)/t25-/m0/s1
InChIKeyVUJAKWYECSYVPG-VWLOTQADSA-N
MW437.58 g/mol
LogP3.80
Rot. Bonds8

About 2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide

2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide (PubChem CID 40948997) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide
PubChem CID40948997
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide
SMILESCOc1cccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1
InChIInChI=1S/C26H35N3O3/c1-28-13-7-8-20-16-21(11-12-24(20)28)25(29-14-4-3-5-15-29)18-27-26(30)19-32-23-10-6-9-22(17-23)31-2/h6,9-12,16-17,25H,3-5,7-8,13-15,18-19H2,1-2H3,(H,27,30)/t25-/m0/s1
InChIKeyVUJAKWYECSYVPG-VWLOTQADSA-N
XLogP3.80
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenoxy)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide
CID 40949003
N'-(3-methoxyphenyl)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]oxamide
CID 40949298
N'-(3-methoxyphenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]oxamide
CID 40949294
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 90582229
2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 30577498
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 40890280
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-(3-methylphenoxy)acetamide
CID 30575745
2-(4-bromophenoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43003277
3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40890098
N'-tert-butyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]oxamide
CID 40949352
2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]propanamide
CID 40948904
2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014391

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide (CID 40948997) is 2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide is COc1cccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide?
The InChIKey is VUJAKWYECSYVPG-VWLOTQADSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-28-13-7-8-20-16-21(11-12-24(20)28)25(29-14-4-3-5-15-29)18-27-26(30)19-32-23-10-6-9-22(17-23)31-2/h6,9-12,16-17,25H,3-5,7-8,13-15,18-19H2,1-2H3,(H,27,30)/t25-/m0/s1.
What are the key properties of 2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide?
2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide has a molecular weight of 437.58 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide is sourced from PubChem (CID 40948997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).