N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide

C21H32N2O2 — CID 113006871

IUPACN-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C21H32N2O2/c1-5-16-8-7-9-17(6-2)20(16)22-21(25)18-10-12-23(13-11-18)19(24)14-15(3)4/h7-9,15,18H,5-6,10-14H2,1-4H3,(H,22,25)
InChIKeyOOIIFOMRXWLKFG-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.03
Rot. Bonds6

About N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide

N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide (PubChem CID 113006871) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
PubChem CID113006871
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C21H32N2O2/c1-5-16-8-7-9-17(6-2)20(16)22-21(25)18-10-12-23(13-11-18)19(24)14-15(3)4/h7-9,15,18H,5-6,10-14H2,1-4H3,(H,22,25)
InChIKeyOOIIFOMRXWLKFG-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371
1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006115
N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007102
N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide
CID 113008342
N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027123
N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006744
N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007533
N-(2-ethyl-6-methylphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113006759
N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113004169
1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008357
1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide
CID 131934804
N-(2-ethyl-6-methylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006739

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide (CID 113006871) is N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide is CCc1cccc(CC)c1NC(=O)C1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide?
The InChIKey is OOIIFOMRXWLKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-5-16-8-7-9-17(6-2)20(16)22-21(25)18-10-12-23(13-11-18)19(24)14-15(3)4/h7-9,15,18H,5-6,10-14H2,1-4H3,(H,22,25).
What are the key properties of N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide?
N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113006871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).