N-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide

C16H24N2O2 — CID 63130077

IUPACN-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide
SMILESCOc1c(C)ccc(NC(=O)C2(C)CCCNC2)c1C
InChIInChI=1S/C16H24N2O2/c1-11-6-7-13(12(2)14(11)20-4)18-15(19)16(3)8-5-9-17-10-16/h6-7,17H,5,8-10H2,1-4H3,(H,18,19)
InChIKeyJCGBPJOHZXYABG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.64
Rot. Bonds3

About N-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide

N-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide (PubChem CID 63130077) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide
PubChem CID63130077
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide
SMILESCOc1c(C)ccc(NC(=O)C2(C)CCCNC2)c1C
InChIInChI=1S/C16H24N2O2/c1-11-6-7-13(12(2)14(11)20-4)18-15(19)16(3)8-5-9-17-10-16/h6-7,17H,5,8-10H2,1-4H3,(H,18,19)
InChIKeyJCGBPJOHZXYABG-UHFFFAOYSA-N
XLogP2.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide (CID 63130077) is N-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide is COc1c(C)ccc(NC(=O)C2(C)CCCNC2)c1C.
What is the InChIKey of N-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is JCGBPJOHZXYABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-6-7-13(12(2)14(11)20-4)18-15(19)16(3)8-5-9-17-10-16/h6-7,17H,5,8-10H2,1-4H3,(H,18,19).
What are the key properties of N-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide?
N-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63130077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).