1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide

C20H30N2O2 — CID 110769588

IUPAC1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C20H30N2O2/c1-13-10-16(20(3,4)5)11-14(2)17(13)12-18(23)22-8-6-15(7-9-22)19(21)24/h10-11,15H,6-9,12H2,1-5H3,(H2,21,24)
InChIKeyMQEXPPRIDJUPBY-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.87
Rot. Bonds3

About 1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide

1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide (PubChem CID 110769588) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide
PubChem CID110769588
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C20H30N2O2/c1-13-10-16(20(3,4)5)11-14(2)17(13)12-18(23)22-8-6-15(7-9-22)19(21)24/h10-11,15H,6-9,12H2,1-5H3,(H2,21,24)
InChIKeyMQEXPPRIDJUPBY-UHFFFAOYSA-N
XLogP2.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide (CID 110769588) is 1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide is Cc1cc(C(C)(C)C)cc(C)c1CC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is MQEXPPRIDJUPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-13-10-16(20(3,4)5)11-14(2)17(13)12-18(23)22-8-6-15(7-9-22)19(21)24/h10-11,15H,6-9,12H2,1-5H3,(H2,21,24).
What are the key properties of 1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide?
1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 110769588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).