N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid

C19H28N2O5 — CID 171154390

IUPACN-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
SMILESCc1ccc(C)c(NC(=O)CCN2CCC(C)CC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H26N2O.C2H2O4/c1-13-6-9-19(10-7-13)11-8-17(20)18-16-12-14(2)4-5-15(16)3;3-1(4)2(5)6/h4-5,12-13H,6-11H2,1-3H3,(H,18,20);(H,3,4)(H,5,6)
InChIKeyKTSITZGDNMLJNI-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.52
Rot. Bonds4

About N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid

N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid (PubChem CID 171154390) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
PubChem CID171154390
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC NameN-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
SMILESCc1ccc(C)c(NC(=O)CCN2CCC(C)CC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H26N2O.C2H2O4/c1-13-6-9-19(10-7-13)11-8-17(20)18-16-12-14(2)4-5-15(16)3;3-1(4)2(5)6/h4-5,12-13H,6-11H2,1-3H3,(H,18,20);(H,3,4)(H,5,6)
InChIKeyKTSITZGDNMLJNI-UHFFFAOYSA-N
XLogP2.52
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014604
ethyl 4-[3-(2,5-dimethylanilino)-3-oxopropyl]piperazine-1-carboxylate;oxalic acid
CID 171154401
3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide
CID 3236824
3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 109014565
N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014572
N-(4-amino-2-methylphenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63623312
N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide
CID 124846510
2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 54807933
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109032554
3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 50794531
[2-(2,5-dimethylanilino)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate
CID 4665305

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid (CID 171154390) is N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid is Cc1ccc(C)c(NC(=O)CCN2CCC(C)CC2)c1.O=C(O)C(=O)O.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid?
The InChIKey is KTSITZGDNMLJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.C2H2O4/c1-13-6-9-19(10-7-13)11-8-17(20)18-16-12-14(2)4-5-15(16)3;3-1(4)2(5)6/h4-5,12-13H,6-11H2,1-3H3,(H,18,20);(H,3,4)(H,5,6).
What are the key properties of N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid?
N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid has a molecular weight of 364.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid is sourced from PubChem (CID 171154390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).