(2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide

C24H32N2O2 — CID 94015546

IUPAC(2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H32N2O2/c1-3-22(28-23-10-6-5-9-19(23)2)24(27)25-17-20-11-13-21(14-12-20)18-26-15-7-4-8-16-26/h5-6,9-14,22H,3-4,7-8,15-18H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyAXRDOEPQBNLORC-JOCHJYFZSA-N
MW380.53 g/mol
LogP4.45
Rot. Bonds8

About (2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide

(2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide (PubChem CID 94015546) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
PubChem CID94015546
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H32N2O2/c1-3-22(28-23-10-6-5-9-19(23)2)24(27)25-17-20-11-13-21(14-12-20)18-26-15-7-4-8-16-26/h5-6,9-14,22H,3-4,7-8,15-18H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyAXRDOEPQBNLORC-JOCHJYFZSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,3-dimethylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015566
2-(2-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 46767921
(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015212
(2S)-2-(2-fluorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015582
(2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015221
(2S)-2-(2-fluorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015253
(2S)-2-(3,4-dimethylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015557
(2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
CID 99952065
2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 133190452
(2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 99131490
(2S)-2-hydroxy-3-(2-methylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 125161906
(2S)-2-(4-methoxyphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015127

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide?
The IUPAC name of (2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide (CID 94015546) is (2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide.
What is the SMILES notation for (2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide?
The canonical SMILES for (2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide is CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of (2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide?
The InChIKey is AXRDOEPQBNLORC-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-3-22(28-23-10-6-5-9-19(23)2)24(27)25-17-20-11-13-21(14-12-20)18-26-15-7-4-8-16-26/h5-6,9-14,22H,3-4,7-8,15-18H2,1-2H3,(H,25,27)/t22-/m1/s1.
What are the key properties of (2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide?
(2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide has a molecular weight of 380.53 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 94015546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).