N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide

C22H29N3O — CID 91683959

IUPACN-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(N2CC(C)CC(C)C2)c(C)cc1N
InChIInChI=1S/C22H29N3O/c1-14-9-15(2)13-25(12-14)21-11-20(19(23)10-17(21)4)24-22(26)18-8-6-5-7-16(18)3/h5-8,10-11,14-15H,9,12-13,23H2,1-4H3,(H,24,26)
InChIKeyWUQMNXDSSCVRBA-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.62
Rot. Bonds3

About N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide

N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide (PubChem CID 91683959) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide
PubChem CID91683959
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(N2CC(C)CC(C)C2)c(C)cc1N
InChIInChI=1S/C22H29N3O/c1-14-9-15(2)13-25(12-14)21-11-20(19(23)10-17(21)4)24-22(26)18-8-6-5-7-16(18)3/h5-8,10-11,14-15H,9,12-13,23H2,1-4H3,(H,24,26)
InChIKeyWUQMNXDSSCVRBA-UHFFFAOYSA-N
XLogP4.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide
CID 99969105
N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide
CID 91683936
N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide
CID 91684192
N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide
CID 50881063
N-[2-amino-5-(2,6-dimethylpiperidin-1-yl)-4-methylphenyl]-2-bromobenzamide
CID 91684052
N-[2-amino-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-2-methoxybenzamide
CID 100805564
N-[2-amino-4-methyl-5-(3-methylpiperidin-1-yl)phenyl]-4-tert-butylbenzamide
CID 91683980
N-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide
CID 91684113
N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide
CID 50792225
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]benzamide
CID 100805211
3-[(2-methylbenzoyl)amino]-4-(4-methylpiperidin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146053611
5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)benzoic acid
CID 50807443

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide?
The IUPAC name of N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide (CID 91683959) is N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide?
The canonical SMILES for N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cc(N2CC(C)CC(C)C2)c(C)cc1N.
What is the InChIKey of N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide?
The InChIKey is WUQMNXDSSCVRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-14-9-15(2)13-25(12-14)21-11-20(19(23)10-17(21)4)24-22(26)18-8-6-5-7-16(18)3/h5-8,10-11,14-15H,9,12-13,23H2,1-4H3,(H,24,26).
What are the key properties of N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide?
N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide has a molecular weight of 351.49 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide is sourced from PubChem (CID 91683959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).