N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide

C21H27N3O2 — CID 91684192

IUPACN-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(N2CCC(C)CC2)c(C)cc1N
InChIInChI=1S/C21H27N3O2/c1-14-8-10-24(11-9-14)19-13-18(17(22)12-15(19)2)23-21(25)16-6-4-5-7-20(16)26-3/h4-7,12-14H,8-11,22H2,1-3H3,(H,23,25)
InChIKeyRHPHLEHYYQZLGD-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.07
Rot. Bonds4

About N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide

N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide (PubChem CID 91684192) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide
PubChem CID91684192
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(N2CCC(C)CC2)c(C)cc1N
InChIInChI=1S/C21H27N3O2/c1-14-8-10-24(11-9-14)19-13-18(17(22)12-15(19)2)23-21(25)16-6-4-5-7-20(16)26-3/h4-7,12-14H,8-11,22H2,1-3H3,(H,23,25)
InChIKeyRHPHLEHYYQZLGD-UHFFFAOYSA-N
XLogP4.07
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide
CID 100805564
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91676222
N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide
CID 50881063
N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide
CID 91683959
5-chloro-2-methoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 2953935
N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881913
N-(4-amino-2,5-dimethylphenyl)-2-methoxybenzamide
CID 103144625
2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066472
2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42751223
N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91675480
2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
2-methoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 15987836

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide (CID 91684192) is N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(N2CCC(C)CC2)c(C)cc1N.
What is the InChIKey of N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide?
The InChIKey is RHPHLEHYYQZLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14-8-10-24(11-9-14)19-13-18(17(22)12-15(19)2)23-21(25)16-6-4-5-7-20(16)26-3/h4-7,12-14H,8-11,22H2,1-3H3,(H,23,25).
What are the key properties of N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide?
N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide has a molecular weight of 353.47 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 91684192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).