N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride

C21H26ClN3O2 — CID 119422003

IUPACN-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)Nc3ccccc3N)C2)c1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-14-10-15(2)12-17(11-14)21(26)24-9-5-6-16(13-24)20(25)23-19-8-4-3-7-18(19)22;/h3-4,7-8,10-12,16H,5-6,9,13,22H2,1-2H3,(H,23,25);1H
InChIKeyKITWNJNVPBBGGS-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.80
Rot. Bonds3

About N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride

N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119422003) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119422003
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)Nc3ccccc3N)C2)c1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-14-10-15(2)12-17(11-14)21(26)24-9-5-6-16(13-24)20(25)23-19-8-4-3-7-18(19)22;/h3-4,7-8,10-12,16H,5-6,9,13,22H2,1-2H3,(H,23,25);1H
InChIKeyKITWNJNVPBBGGS-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
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

(3S)-N-(2-bromophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010502
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082776
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119422273
3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119422157
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885
1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 46489523
1-(3,5-dimethylbenzoyl)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 46488810
N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119618843
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218307

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride (CID 119422003) is N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)Nc3ccccc3N)C2)c1.Cl.
What is the InChIKey of N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is KITWNJNVPBBGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c1-14-10-15(2)12-17(11-14)21(26)24-9-5-6-16(13-24)20(25)23-19-8-4-3-7-18(19)22;/h3-4,7-8,10-12,16H,5-6,9,13,22H2,1-2H3,(H,23,25);1H.
What are the key properties of N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride?
N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119422003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).