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

C21H38N2O2 — CID 122679827

IUPAC1-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC2CCC(C(C)C)(C(C)(C)C)CC2)CC1
InChIInChI=1S/C21H38N2O2/c1-15(2)21(20(4,5)6)11-7-18(8-12-21)22-19(25)17-9-13-23(14-10-17)16(3)24/h15,17-18H,7-14H2,1-6H3,(H,22,25)
InChIKeyBELQVJFQAZBWNA-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.99
Rot. Bonds3

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

1-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)piperidine-4-carboxamide (PubChem CID 122679827) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
PubChem CID122679827
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name1-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC2CCC(C(C)C)(C(C)(C)C)CC2)CC1
InChIInChI=1S/C21H38N2O2/c1-15(2)21(20(4,5)6)11-7-18(8-12-21)22-19(25)17-9-13-23(14-10-17)16(3)24/h15,17-18H,7-14H2,1-6H3,(H,22,25)
InChIKeyBELQVJFQAZBWNA-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)piperidine-4-carboxamide (CID 122679827) is 1-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NC2CCC(C(C)C)(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)piperidine-4-carboxamide?
The InChIKey is BELQVJFQAZBWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-15(2)21(20(4,5)6)11-7-18(8-12-21)22-19(25)17-9-13-23(14-10-17)16(3)24/h15,17-18H,7-14H2,1-6H3,(H,22,25).
What are the key properties of 1-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)piperidine-4-carboxamide?
1-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)piperidine-4-carboxamide has a molecular weight of 350.55 g/mol, XLogP of 3.99, 3 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-4-propan-2-ylcyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 122679827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).