N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide

C23H30N2O2 — CID 25486072

IUPACN-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide
SMILESCOc1ccc([C@H](CNC(=O)c2ccc(C)cc2C)N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-17-7-12-21(18(2)15-17)23(26)24-16-22(25-13-5-4-6-14-25)19-8-10-20(27-3)11-9-19/h7-12,15,22H,4-6,13-14,16H2,1-3H3,(H,24,26)/t22-/m0/s1
InChIKeyKHWFNFNEJQLIDV-QFIPXVFZSA-N
MW366.51 g/mol
LogP4.27
Rot. Bonds6

About N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide

N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide (PubChem CID 25486072) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide
PubChem CID25486072
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide
SMILESCOc1ccc([C@H](CNC(=O)c2ccc(C)cc2C)N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-17-7-12-21(18(2)15-17)23(26)24-16-22(25-13-5-4-6-14-25)19-8-10-20(27-3)11-9-19/h7-12,15,22H,4-6,13-14,16H2,1-3H3,(H,24,26)/t22-/m0/s1
InChIKeyKHWFNFNEJQLIDV-QFIPXVFZSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 9119908
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide
CID 35047300
5-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methylbenzamide;dihydrochloride
CID 120639768
2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35046513
2-hydroxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 51186231
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 19114549
N-[(2R)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 42279228
3-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 24544219
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669308
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 43006589

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide (CID 25486072) is N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide is COc1ccc([C@H](CNC(=O)c2ccc(C)cc2C)N2CCCCC2)cc1.
What is the InChIKey of N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide?
The InChIKey is KHWFNFNEJQLIDV-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17-7-12-21(18(2)15-17)23(26)24-16-22(25-13-5-4-6-14-25)19-8-10-20(27-3)11-9-19/h7-12,15,22H,4-6,13-14,16H2,1-3H3,(H,24,26)/t22-/m0/s1.
What are the key properties of N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide?
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide has a molecular weight of 366.51 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 25486072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).