1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide

C21H32N2O2 — CID 134028771

IUPAC1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCCc1ccc(CN(C)C(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C21H32N2O2/c1-6-16-7-9-17(10-8-16)15-22(5)19(24)18-11-13-23(14-12-18)20(25)21(2,3)4/h7-10,18H,6,11-15H2,1-5H3
InChIKeyHMGWEDMXQSFOED-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.49
Rot. Bonds4

About 1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 134028771) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID134028771
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCCc1ccc(CN(C)C(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C21H32N2O2/c1-6-16-7-9-17(10-8-16)15-22(5)19(24)18-11-13-23(14-12-18)20(25)21(2,3)4/h7-10,18H,6,11-15H2,1-5H3
InChIKeyHMGWEDMXQSFOED-UHFFFAOYSA-N
XLogP3.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-methyl-N-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 55580804
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877
1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 33324992
1-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 86824162
1-benzylsulfonyl-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 39716601
1-N,1-N-diethyl-4-N-methyl-4-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 55682821
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide
CID 18117670
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 7601399
tert-butyl 4-[(4-cyanophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 39860083
tert-butyl 4-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 134059870
N-[[4-(dimethylamino)phenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 36665418
1-(cyclopentanecarbonyl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
CID 72916876

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide (CID 134028771) is 1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide is CCc1ccc(CN(C)C(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is HMGWEDMXQSFOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-6-16-7-9-17(10-8-16)15-22(5)19(24)18-11-13-23(14-12-18)20(25)21(2,3)4/h7-10,18H,6,11-15H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 134028771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).