N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide

C23H30N2O3 — CID 112505140

IUPACN-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(C)c2)N2CCCCC2)cc1OC
InChIInChI=1S/C23H30N2O3/c1-17-8-7-9-19(14-17)23(26)24-16-20(25-12-5-4-6-13-25)18-10-11-21(27-2)22(15-18)28-3/h7-11,14-15,20H,4-6,12-13,16H2,1-3H3,(H,24,26)
InChIKeyKDWBBHBEVHEUOW-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.97
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide

N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide (PubChem CID 112505140) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide
PubChem CID112505140
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(C)c2)N2CCCCC2)cc1OC
InChIInChI=1S/C23H30N2O3/c1-17-8-7-9-19(14-17)23(26)24-16-20(25-12-5-4-6-13-25)18-10-11-21(27-2)22(15-18)28-3/h7-11,14-15,20H,4-6,12-13,16H2,1-3H3,(H,24,26)
InChIKeyKDWBBHBEVHEUOW-UHFFFAOYSA-N
XLogP3.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43842823
3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424
N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide
CID 35579010
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17012253
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 119830154
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43843406
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-3,4-dimethoxybenzamide
CID 42457132
N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide
CID 24647897
N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 112789946

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide (CID 112505140) is N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide is COc1ccc(C(CNC(=O)c2cccc(C)c2)N2CCCCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide?
The InChIKey is KDWBBHBEVHEUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17-8-7-9-19(14-17)23(26)24-16-20(25-12-5-4-6-13-25)18-10-11-21(27-2)22(15-18)28-3/h7-11,14-15,20H,4-6,12-13,16H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide?
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide has a molecular weight of 382.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide is sourced from PubChem (CID 112505140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).