N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C23H28N2O3 — CID 55882738

IUPACN-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O3/c1-17-8-9-18(2)21(16-17)24-23(27)19-10-13-25(14-11-19)22(26)12-15-28-20-6-4-3-5-7-20/h3-9,16,19H,10-15H2,1-2H3,(H,24,27)
InChIKeyRQBDJNLMRDATBF-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.95
Rot. Bonds6

About N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 55882738) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID55882738
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O3/c1-17-8-9-18(2)21(16-17)24-23(27)19-10-13-25(14-11-19)22(26)12-15-28-20-6-4-3-5-7-20/h3-9,16,19H,10-15H2,1-2H3,(H,24,27)
InChIKeyRQBDJNLMRDATBF-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856671
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55886034
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132
N-(3-cyclopentyloxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885368
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450
1-[3-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 45426975

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 55882738) is N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is Cc1ccc(C)c(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is RQBDJNLMRDATBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17-8-9-18(2)21(16-17)24-23(27)19-10-13-25(14-11-19)22(26)12-15-28-20-6-4-3-5-7-20/h3-9,16,19H,10-15H2,1-2H3,(H,24,27).
What are the key properties of N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55882738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).