N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide

C16H24N2O — CID 104596534

IUPACN-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide
SMILESCCN(C(=O)C1(C)CCCCN1)c1cccc(C)c1
InChIInChI=1S/C16H24N2O/c1-4-18(14-9-7-8-13(2)12-14)15(19)16(3)10-5-6-11-17-16/h7-9,12,17H,4-6,10-11H2,1-3H3
InChIKeyUSHXLKHOQSOIIY-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.88
Rot. Bonds3

About N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide

N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide (PubChem CID 104596534) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide
PubChem CID104596534
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide
SMILESCCN(C(=O)C1(C)CCCCN1)c1cccc(C)c1
InChIInChI=1S/C16H24N2O/c1-4-18(14-9-7-8-13(2)12-14)15(19)16(3)10-5-6-11-17-16/h7-9,12,17H,4-6,10-11H2,1-3H3
InChIKeyUSHXLKHOQSOIIY-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide?
The IUPAC name of N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide (CID 104596534) is N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide is CCN(C(=O)C1(C)CCCCN1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide?
The InChIKey is USHXLKHOQSOIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-18(14-9-7-8-13(2)12-14)15(19)16(3)10-5-6-11-17-16/h7-9,12,17H,4-6,10-11H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide?
N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 104596534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).