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

C21H26N2O2 — CID 86965644

IUPACN-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
SMILESCOc1ccccc1N1CCCC(NC(=O)c2ccc(C)c(C)c2)C1
InChIInChI=1S/C21H26N2O2/c1-15-10-11-17(13-16(15)2)21(24)22-18-7-6-12-23(14-18)19-8-4-5-9-20(19)25-3/h4-5,8-11,13,18H,6-7,12,14H2,1-3H3,(H,22,24)
InChIKeyBSEMJKRHYJWOPT-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.71
Rot. Bonds4

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

N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide (PubChem CID 86965644) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
PubChem CID86965644
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
SMILESCOc1ccccc1N1CCCC(NC(=O)c2ccc(C)c(C)c2)C1
InChIInChI=1S/C21H26N2O2/c1-15-10-11-17(13-16(15)2)21(24)22-18-7-6-12-23(14-18)19-8-4-5-9-20(19)25-3/h4-5,8-11,13,18H,6-7,12,14H2,1-3H3,(H,22,24)
InChIKeyBSEMJKRHYJWOPT-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide
CID 86966315
3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide
CID 86965528
4-(dimethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]benzamide
CID 136514299
2-hydroxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 110015870
3-chloro-N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-2-oxoethyl]benzamide
CID 86966299
5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 86965684
2-cyclohexyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965524
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 86965648
3-cyclopentyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide
CID 86965679
2-(3-chlorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965513
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide
CID 86965606
N-cyclopentyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109166043

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide (CID 86965644) is N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide is COc1ccccc1N1CCCC(NC(=O)c2ccc(C)c(C)c2)C1.
What is the InChIKey of N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide?
The InChIKey is BSEMJKRHYJWOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-10-11-17(13-16(15)2)21(24)22-18-7-6-12-23(14-18)19-8-4-5-9-20(19)25-3/h4-5,8-11,13,18H,6-7,12,14H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide?
N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 86965644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).