N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide

C26H34N2O3 — CID 26395249

IUPACN-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide
SMILESCOc1ccc(NC(=O)CCC2CCN([C@@H]3CCc4ccccc4C3)CC2)c(OC)c1
InChIInChI=1S/C26H34N2O3/c1-30-23-10-11-24(25(18-23)31-2)27-26(29)12-7-19-13-15-28(16-14-19)22-9-8-20-5-3-4-6-21(20)17-22/h3-6,10-11,18-19,22H,7-9,12-17H2,1-2H3,(H,27,29)/t22-/m1/s1
InChIKeyVSHPNLNGLHGVKU-JOCHJYFZSA-N
MW422.57 g/mol
LogP4.69
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide

N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide (PubChem CID 26395249) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide
PubChem CID26395249
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide
SMILESCOc1ccc(NC(=O)CCC2CCN([C@@H]3CCc4ccccc4C3)CC2)c(OC)c1
InChIInChI=1S/C26H34N2O3/c1-30-23-10-11-24(25(18-23)31-2)27-26(29)12-7-19-13-15-28(16-14-19)22-9-8-20-5-3-4-6-21(20)17-22/h3-6,10-11,18-19,22H,7-9,12-17H2,1-2H3,(H,27,29)/t22-/m1/s1
InChIKeyVSHPNLNGLHGVKU-JOCHJYFZSA-N
XLogP4.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide (CID 26395249) is N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide is COc1ccc(NC(=O)CCC2CCN([C@@H]3CCc4ccccc4C3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide?
The InChIKey is VSHPNLNGLHGVKU-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-30-23-10-11-24(25(18-23)31-2)27-26(29)12-7-19-13-15-28(16-14-19)22-9-8-20-5-3-4-6-21(20)17-22/h3-6,10-11,18-19,22H,7-9,12-17H2,1-2H3,(H,27,29)/t22-/m1/s1.
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide?
N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide has a molecular weight of 422.57 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 26395249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).