N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide

C18H28N2O — CID 86800635

IUPACN-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide
SMILESCCc1cccc(C)c1NC(=O)N1CCCCC1C(C)C
InChIInChI=1S/C18H28N2O/c1-5-15-10-8-9-14(4)17(15)19-18(21)20-12-7-6-11-16(20)13(2)3/h8-10,13,16H,5-7,11-12H2,1-4H3,(H,19,21)
InChIKeyREGDTLQJTMGTQH-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.60
Rot. Bonds3

About N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide

N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide (PubChem CID 86800635) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide
PubChem CID86800635
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide
SMILESCCc1cccc(C)c1NC(=O)N1CCCCC1C(C)C
InChIInChI=1S/C18H28N2O/c1-5-15-10-8-9-14(4)17(15)19-18(21)20-12-7-6-11-16(20)13(2)3/h8-10,13,16H,5-7,11-12H2,1-4H3,(H,19,21)
InChIKeyREGDTLQJTMGTQH-UHFFFAOYSA-N
XLogP4.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide
CID 86803953
(2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 100720353
N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750
N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108512179
N-(2-ethyl-6-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554808
N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide
CID 62654437
2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide
CID 3538975
N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 82086576
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145846
3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032623
N-(2-ethyl-6-methylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 110688197

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide (CID 86800635) is N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide is CCc1cccc(C)c1NC(=O)N1CCCCC1C(C)C.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is REGDTLQJTMGTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-15-10-8-9-14(4)17(15)19-18(21)20-12-7-6-11-16(20)13(2)3/h8-10,13,16H,5-7,11-12H2,1-4H3,(H,19,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide?
N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 86800635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).