1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide

C21H32N2O2 — CID 134028904

IUPAC1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(C)cc1
InChIInChI=1S/C21H32N2O2/c1-6-18(16-9-7-15(2)8-10-16)22-19(24)17-11-13-23(14-12-17)20(25)21(3,4)5/h7-10,17-18H,6,11-14H2,1-5H3,(H,22,24)
InChIKeyCLSDXOFNFKVKKI-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.85
Rot. Bonds4

About 1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide (PubChem CID 134028904) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
PubChem CID134028904
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(C)cc1
InChIInChI=1S/C21H32N2O2/c1-6-18(16-9-7-15(2)8-10-16)22-19(24)17-11-13-23(14-12-17)20(25)21(3,4)5/h7-10,17-18H,6,11-14H2,1-5H3,(H,22,24)
InChIKeyCLSDXOFNFKVKKI-UHFFFAOYSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 6469814
tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate
CID 9155664
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
1-[(4-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024761
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate
CID 24613419
1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024759
1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide
CID 97189714
1-(2,2-dimethylpropanoyl)-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide
CID 18140177
1-ethylsulfonyl-N-[1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 50946502
(3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 95118826
1-methyl-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 50875269

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide (CID 134028904) is 1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide is CCC(NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(C)cc1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is CLSDXOFNFKVKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-6-18(16-9-7-15(2)8-10-16)22-19(24)17-11-13-23(14-12-17)20(25)21(3,4)5/h7-10,17-18H,6,11-14H2,1-5H3,(H,22,24).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 134028904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).