N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide

C20H30N2O3 — CID 51088341

IUPACN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide
SMILESCOCCCC(=O)Nc1cc(C(=O)N2CC(C)CC(C)C2)ccc1C
InChIInChI=1S/C20H30N2O3/c1-14-10-15(2)13-22(12-14)20(24)17-8-7-16(3)18(11-17)21-19(23)6-5-9-25-4/h7-8,11,14-15H,5-6,9-10,12-13H2,1-4H3,(H,21,23)
InChIKeyCQVSGPUWGVBONL-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.48
Rot. Bonds6

About N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide (PubChem CID 51088341) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide
PubChem CID51088341
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide
SMILESCOCCCC(=O)Nc1cc(C(=O)N2CC(C)CC(C)C2)ccc1C
InChIInChI=1S/C20H30N2O3/c1-14-10-15(2)13-22(12-14)20(24)17-8-7-16(3)18(11-17)21-19(23)6-5-9-25-4/h7-8,11,14-15H,5-6,9-10,12-13H2,1-4H3,(H,21,23)
InChIKeyCQVSGPUWGVBONL-UHFFFAOYSA-N
XLogP3.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55895252
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide
CID 55895000
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-hydroxy-3-methoxybenzamide
CID 112846190
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55895763
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-hydroxy-5-methoxybenzamide
CID 112846199
3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide
CID 56512790
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 55895378
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-oxobutanamide
CID 55895134
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55895384
N-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide
CID 132970155
(3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone
CID 132970238
4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide
CID 87026950

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide?
The IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide (CID 51088341) is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide.
What is the SMILES notation for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide?
The canonical SMILES for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide is COCCCC(=O)Nc1cc(C(=O)N2CC(C)CC(C)C2)ccc1C.
What is the InChIKey of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide?
The InChIKey is CQVSGPUWGVBONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14-10-15(2)13-22(12-14)20(24)17-8-7-16(3)18(11-17)21-19(23)6-5-9-25-4/h7-8,11,14-15H,5-6,9-10,12-13H2,1-4H3,(H,21,23).
What are the key properties of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide?
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide has a molecular weight of 346.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide is sourced from PubChem (CID 51088341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).