3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride

C21H26ClN3O2 — CID 119753451

IUPAC3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
SMILESCc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-14-5-4-10-24(13-14)21(26)17-8-9-19(15(2)11-17)23-20(25)16-6-3-7-18(22)12-16;/h3,6-9,11-12,14H,4-5,10,13,22H2,1-2H3,(H,23,25);1H
InChIKeyMKDXUMAMTQRDMP-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.12
Rot. Bonds3

About 3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride

3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride (PubChem CID 119753451) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
PubChem CID119753451
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
SMILESCc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-14-5-4-10-24(13-14)21(26)17-8-9-19(15(2)11-17)23-20(25)16-6-3-7-18(22)12-16;/h3,6-9,11-12,14H,4-5,10,13,22H2,1-2H3,(H,23,25);1H
InChIKeyMKDXUMAMTQRDMP-UHFFFAOYSA-N
XLogP4.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.12
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-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048965
(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 63212098
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048988
1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide
CID 126768610
N-(2,5-dichlorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056580
N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056590
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea
CID 95266911
N-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109050747
3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 119715820
N-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056550

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride (CID 119753451) is 3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride is Cc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)c1cccc(N)c1.Cl.
What is the InChIKey of 3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride?
The InChIKey is MKDXUMAMTQRDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c1-14-5-4-10-24(13-14)21(26)17-8-9-19(15(2)11-17)23-20(25)16-6-3-7-18(22)12-16;/h3,6-9,11-12,14H,4-5,10,13,22H2,1-2H3,(H,23,25);1H.
What are the key properties of 3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride?
3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119753451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).