N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide

C21H32N2O3 — CID 55653511

IUPACN-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide
SMILESCCCCCCCC(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C21H32N2O3/c1-3-4-5-6-7-12-20(24)23-15-13-17(14-16-23)21(25)22-18-10-8-9-11-19(18)26-2/h8-11,17H,3-7,12-16H2,1-2H3,(H,22,25)
InChIKeyROZCYTMBESJXFT-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.23
Rot. Bonds9

About N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide

N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide (PubChem CID 55653511) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide
PubChem CID55653511
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide
SMILESCCCCCCCC(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C21H32N2O3/c1-3-4-5-6-7-12-20(24)23-15-13-17(14-16-23)21(25)22-18-10-8-9-11-19(18)26-2/h8-11,17H,3-7,12-16H2,1-2H3,(H,22,25)
InChIKeyROZCYTMBESJXFT-UHFFFAOYSA-N
XLogP4.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-(dipropylamino)-5-oxopentanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 56546135
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007400
1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646196
1-N,1-N-diethyl-4-N-(2-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 56922674
N-(2-methoxyphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 38645839
N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
CID 38644491
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 33344202
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120981028
1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 113007690
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide (CID 55653511) is N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide is CCCCCCCC(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide?
The InChIKey is ROZCYTMBESJXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-3-4-5-6-7-12-20(24)23-15-13-17(14-16-23)21(25)22-18-10-8-9-11-19(18)26-2/h8-11,17H,3-7,12-16H2,1-2H3,(H,22,25).
What are the key properties of N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide?
N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide is sourced from PubChem (CID 55653511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).