N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-methylphenoxy)propanamide

C24H32N2O3 — CID 51731084

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-methylphenoxy)propanamide
SMILESCOc1ccc([C@@H](CNC(=O)CCOc2ccccc2C)N2CCCCC2)cc1
InChIInChI=1S/C24H32N2O3/c1-19-8-4-5-9-23(19)29-17-14-24(27)25-18-22(26-15-6-3-7-16-26)20-10-12-21(28-2)13-11-20/h4-5,8-13,22H,3,6-7,14-18H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyABZBKCTWHRYXND-JOCHJYFZSA-N
MW396.53 g/mol
LogP4.12
Rot. Bonds9

About N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-methylphenoxy)propanamide

N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-methylphenoxy)propanamide (PubChem CID 51731084) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-methylphenoxy)propanamide
PubChem CID51731084
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-methylphenoxy)propanamide
SMILESCOc1ccc([C@@H](CNC(=O)CCOc2ccccc2C)N2CCCCC2)cc1
InChIInChI=1S/C24H32N2O3/c1-19-8-4-5-9-23(19)29-17-14-24(27)25-18-22(26-15-6-3-7-16-26)20-10-12-21(28-2)13-11-20/h4-5,8-13,22H,3,6-7,14-18H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyABZBKCTWHRYXND-JOCHJYFZSA-N
XLogP4.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 18111378
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 18111373
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 24544210
2-(2-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 86976076
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 52984972
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 60615784
2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35129295
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-methylphenoxy)propanamide (CID 51731084) is N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-methylphenoxy)propanamide is COc1ccc([C@@H](CNC(=O)CCOc2ccccc2C)N2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-methylphenoxy)propanamide?
The InChIKey is ABZBKCTWHRYXND-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-19-8-4-5-9-23(19)29-17-14-24(27)25-18-22(26-15-6-3-7-16-26)20-10-12-21(28-2)13-11-20/h4-5,8-13,22H,3,6-7,14-18H2,1-2H3,(H,25,27)/t22-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-methylphenoxy)propanamide?
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-methylphenoxy)propanamide has a molecular weight of 396.53 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 51731084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).