2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide

C23H30N2O4 — CID 9119908

IUPAC2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCOc1ccc([C@@H](CNC(=O)c2ccc(OC)cc2OC)N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O4/c1-27-18-9-7-17(8-10-18)21(25-13-5-4-6-14-25)16-24-23(26)20-12-11-19(28-2)15-22(20)29-3/h7-12,15,21H,4-6,13-14,16H2,1-3H3,(H,24,26)/t21-/m1/s1
InChIKeyNQNXKGIMHIYQBR-OAQYLSRUSA-N
MW398.50 g/mol
LogP3.67
Rot. Bonds8

About 2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide

2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 9119908) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
PubChem CID9119908
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCOc1ccc([C@@H](CNC(=O)c2ccc(OC)cc2OC)N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O4/c1-27-18-9-7-17(8-10-18)21(25-13-5-4-6-14-25)16-24-23(26)20-12-11-19(28-2)15-22(20)29-3/h7-12,15,21H,4-6,13-14,16H2,1-3H3,(H,24,26)/t21-/m1/s1
InChIKeyNQNXKGIMHIYQBR-OAQYLSRUSA-N
XLogP3.67
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-dimethoxybenzamide
CID 16931874
2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35046513
2,4-dimethoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006298
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide
CID 25486072
2,5-dichloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-3-carboxamide
CID 17494054
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide
CID 35047300
2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35129295
5-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methylbenzamide;dihydrochloride
CID 120639768
3-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17427502
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide (CID 9119908) is 2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide is COc1ccc([C@@H](CNC(=O)c2ccc(OC)cc2OC)N2CCCCC2)cc1.
What is the InChIKey of 2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is NQNXKGIMHIYQBR-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-27-18-9-7-17(8-10-18)21(25-13-5-4-6-14-25)16-24-23(26)20-12-11-19(28-2)15-22(20)29-3/h7-12,15,21H,4-6,13-14,16H2,1-3H3,(H,24,26)/t21-/m1/s1.
What are the key properties of 2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 398.50 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 9119908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).