1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide

C17H24N2O3 — CID 110792941

IUPAC1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(C)=O)CC2)c(C)c1C
InChIInChI=1S/C17H24N2O3/c1-11-12(2)16(22-4)6-5-15(11)18-17(21)14-7-9-19(10-8-14)13(3)20/h5-6,14H,7-10H2,1-4H3,(H,18,21)
InChIKeyBFDDQLRLEDVQIS-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.51
Rot. Bonds3

About 1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide

1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 110792941) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide
PubChem CID110792941
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(C)=O)CC2)c(C)c1C
InChIInChI=1S/C17H24N2O3/c1-11-12(2)16(22-4)6-5-15(11)18-17(21)14-7-9-19(10-8-14)13(3)20/h5-6,14H,7-10H2,1-4H3,(H,18,21)
InChIKeyBFDDQLRLEDVQIS-UHFFFAOYSA-N
XLogP2.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 6466145
N-(2,4-dimethoxy-3-methylphenyl)cyclopentanecarboxamide
CID 110777847
1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide
CID 110793182
tert-butyl 4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 29206094
1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 108804459
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33336070
N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide
CID 115158658
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 113007690
1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide
CID 32858300

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide (CID 110792941) is 1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(C(C)=O)CC2)c(C)c1C.
What is the InChIKey of 1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is BFDDQLRLEDVQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-12(2)16(22-4)6-5-15(11)18-17(21)14-7-9-19(10-8-14)13(3)20/h5-6,14H,7-10H2,1-4H3,(H,18,21).
What are the key properties of 1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide?
1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 110792941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).