1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide

C19H28N2O2 — CID 110793182

IUPAC1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc(C(C)(C)C)cc2C)CC1
InChIInChI=1S/C19H28N2O2/c1-13-12-16(19(3,4)5)6-7-17(13)20-18(23)15-8-10-21(11-9-15)14(2)22/h6-7,12,15H,8-11H2,1-5H3,(H,20,23)
InChIKeyAUUVTJCPRKIFOX-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.49
Rot. Bonds2

About 1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide

1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide (PubChem CID 110793182) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide
PubChem CID110793182
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc(C(C)(C)C)cc2C)CC1
InChIInChI=1S/C19H28N2O2/c1-13-12-16(19(3,4)5)6-7-17(13)20-18(23)15-8-10-21(11-9-15)14(2)22/h6-7,12,15H,8-11H2,1-5H3,(H,20,23)
InChIKeyAUUVTJCPRKIFOX-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 110686050
1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17224372
N-(4-chloro-2-methylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41171917
1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide
CID 110792941
1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 108804425
1-acetyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 108804445
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935911
4-N-(4-bromo-2-methylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56922800
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 47118469

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide (CID 110793182) is 1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2ccc(C(C)(C)C)cc2C)CC1.
What is the InChIKey of 1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide?
The InChIKey is AUUVTJCPRKIFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13-12-16(19(3,4)5)6-7-17(13)20-18(23)15-8-10-21(11-9-15)14(2)22/h6-7,12,15H,8-11H2,1-5H3,(H,20,23).
What are the key properties of 1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide?
1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 110793182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).