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

C22H29N3O — CID 99969105

IUPACN-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(N3C[C@@H](C)C[C@H](C)C3)c(C)cc2N)c1
InChIInChI=1S/C22H29N3O/c1-14-6-5-7-18(9-14)22(26)24-20-11-21(17(4)10-19(20)23)25-12-15(2)8-16(3)13-25/h5-7,9-11,15-16H,8,12-13,23H2,1-4H3,(H,24,26)/t15-,16-/m0/s1
InChIKeyUGDWBJPHNRRQPD-HOTGVXAUSA-N
MW351.49 g/mol
LogP4.62
Rot. Bonds3

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

N-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide (PubChem CID 99969105) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide
PubChem CID99969105
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(N3C[C@@H](C)C[C@H](C)C3)c(C)cc2N)c1
InChIInChI=1S/C22H29N3O/c1-14-6-5-7-18(9-14)22(26)24-20-11-21(17(4)10-19(20)23)25-12-15(2)8-16(3)13-25/h5-7,9-11,15-16H,8,12-13,23H2,1-4H3,(H,24,26)/t15-,16-/m0/s1
InChIKeyUGDWBJPHNRRQPD-HOTGVXAUSA-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-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide
CID 91683959
N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2,2-dimethylpropanamide
CID 91683936
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide
CID 91676207
N-[2-amino-4-methyl-5-(3-methylpiperidin-1-yl)phenyl]-4-tert-butylbenzamide
CID 91683980
N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide
CID 50881210
N-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide
CID 91683990
N-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]-3-methylbenzamide
CID 167926200
N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-bromobenzamide
CID 100805457
N-[4-amino-2-chloro-5-(2-methylpiperidin-1-yl)phenyl]-3-methylbenzamide
CID 50881051
N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-3-methylbenzamide
CID 95733298
N-(5-amino-2-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91675430
N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 5120746

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide?
The IUPAC name of N-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide (CID 99969105) is N-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide?
The canonical SMILES for N-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(N3C[C@@H](C)C[C@H](C)C3)c(C)cc2N)c1.
What is the InChIKey of N-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide?
The InChIKey is UGDWBJPHNRRQPD-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H29N3O/c1-14-6-5-7-18(9-14)22(26)24-20-11-21(17(4)10-19(20)23)25-12-15(2)8-16(3)13-25/h5-7,9-11,15-16H,8,12-13,23H2,1-4H3,(H,24,26)/t15-,16-/m0/s1.
What are the key properties of N-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide?
N-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-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-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide is sourced from PubChem (CID 99969105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).