N-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide

C20H32N2O — CID 17152439

IUPACN-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide
SMILESCCCCC(CC)CNC(=O)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H32N2O/c1-3-5-9-17(4-2)16-21-20(23)18-12-14-22(15-13-18)19-10-7-6-8-11-19/h6-8,10-11,17-18H,3-5,9,12-16H2,1-2H3,(H,21,23)
InChIKeyDZZBUQTWQMFFRD-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.24
Rot. Bonds8

About N-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide

N-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide (PubChem CID 17152439) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide
PubChem CID17152439
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide
SMILESCCCCC(CC)CNC(=O)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H32N2O/c1-3-5-9-17(4-2)16-21-20(23)18-12-14-22(15-13-18)19-10-7-6-8-11-19/h6-8,10-11,17-18H,3-5,9,12-16H2,1-2H3,(H,21,23)
InChIKeyDZZBUQTWQMFFRD-UHFFFAOYSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylhexyl)piperidine-4-carboxamide
CID 61249053
1-(2-ethylhexylcarbamoyl)piperidine-4-carboxylic acid
CID 107817441
N-(2-ethylhexyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 133211188
2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974196
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(2-ethylhexyl)piperidine-4-carboxamide
CID 133239597
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
1-(2-ethylhexylcarbamoyl)piperidine-3-carboxylic acid
CID 107817343
N-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 95554605
N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
N-(2-ethylhexyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082051
(2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide
CID 104897632
N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152438

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide?
The IUPAC name of N-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide (CID 17152439) is N-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide is CCCCC(CC)CNC(=O)C1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide?
The InChIKey is DZZBUQTWQMFFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-3-5-9-17(4-2)16-21-20(23)18-12-14-22(15-13-18)19-10-7-6-8-11-19/h6-8,10-11,17-18H,3-5,9,12-16H2,1-2H3,(H,21,23).
What are the key properties of N-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide?
N-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide has a molecular weight of 316.49 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 17152439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).