N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide

C23H30N2O2 — CID 35047300

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cccc(C)c2C)N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-17-8-7-9-21(18(17)2)23(26)24-16-22(25-14-5-4-6-15-25)19-10-12-20(27-3)13-11-19/h7-13,22H,4-6,14-16H2,1-3H3,(H,24,26)/t22-/m1/s1
InChIKeyCDSXBJYRMZTLQN-JOCHJYFZSA-N
MW366.51 g/mol
LogP4.27
Rot. Bonds6

About N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide

N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide (PubChem CID 35047300) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide
PubChem CID35047300
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cccc(C)c2C)N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-17-8-7-9-21(18(17)2)23(26)24-16-22(25-14-5-4-6-15-25)19-10-12-20(27-3)13-11-19/h7-13,22H,4-6,14-16H2,1-3H3,(H,24,26)/t22-/m1/s1
InChIKeyCDSXBJYRMZTLQN-JOCHJYFZSA-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-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethylbenzamide
CID 43007764
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide;hydrochloride
CID 52985345
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide
CID 25486072
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 24544210
2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 9119908
5-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methylbenzamide;dihydrochloride
CID 120639768
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454
2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35046513
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 110301839
2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35129295
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17011758

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide (CID 35047300) is N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide is COc1ccc([C@@H](CNC(=O)c2cccc(C)c2C)N2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide?
The InChIKey is CDSXBJYRMZTLQN-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17-8-7-9-21(18(17)2)23(26)24-16-22(25-14-5-4-6-15-25)19-10-12-20(27-3)13-11-19/h7-13,22H,4-6,14-16H2,1-3H3,(H,24,26)/t22-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide?
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-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-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 35047300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).