N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide

C18H26N2O2 — CID 60527195

IUPACN-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2c(C)cccc2CC)C1
InChIInChI=1S/C18H26N2O2/c1-4-14-9-6-8-13(3)17(14)19-18(22)15-10-7-11-20(12-15)16(21)5-2/h6,8-9,15H,4-5,7,10-12H2,1-3H3,(H,19,22)
InChIKeyQMUQIJWDBXSYIS-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.14
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide

N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide (PubChem CID 60527195) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide
PubChem CID60527195
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2c(C)cccc2CC)C1
InChIInChI=1S/C18H26N2O2/c1-4-14-9-6-8-13(3)17(14)19-18(22)15-10-7-11-20(12-15)16(21)5-2/h6,8-9,15H,4-5,7,10-12H2,1-3H3,(H,19,22)
InChIKeyQMUQIJWDBXSYIS-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93492077
(3R)-1-(dimethylsulfamoyl)-N-(2-ethyl-6-methylphenyl)piperidine-3-carboxamide
CID 94011647
1-(2-ethyl-6-methylphenyl)-3-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]thiourea
CID 166287450
N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750
(3S)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(2-ethyl-6-methylphenyl)piperidine-3-carboxamide
CID 98366065
N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006744
N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103
N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255391
1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145846
N-(2-ethyl-6-methylphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113006759
N-(2-ethyl-6-methylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20926438
N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60529718

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide (CID 60527195) is N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)Nc2c(C)cccc2CC)C1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide?
The InChIKey is QMUQIJWDBXSYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-14-9-6-8-13(3)17(14)19-18(22)15-10-7-11-20(12-15)16(21)5-2/h6,8-9,15H,4-5,7,10-12H2,1-3H3,(H,19,22).
What are the key properties of N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide?
N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 60527195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).