1-(2-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide

C24H38N4O2 — CID 70380107

IUPAC1-(2-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
SMILESCC(=O)NC1CCCCC1N1CCC(C(=O)Nc2c(C)cccc2C)(N(C)C)CC1
InChIInChI=1S/C24H38N4O2/c1-17-9-8-10-18(2)22(17)26-23(30)24(27(4)5)13-15-28(16-14-24)21-12-7-6-11-20(21)25-19(3)29/h8-10,20-21H,6-7,11-16H2,1-5H3,(H,25,29)(H,26,30)
InChIKeyNOHFRKPFYIVPKQ-UHFFFAOYSA-N
MW414.59 g/mol
LogP3.09
Rot. Bonds5

About 1-(2-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide

1-(2-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 70380107) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 1-(2-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
PubChem CID70380107
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name1-(2-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
SMILESCC(=O)NC1CCCCC1N1CCC(C(=O)Nc2c(C)cccc2C)(N(C)C)CC1
InChIInChI=1S/C24H38N4O2/c1-17-9-8-10-18(2)22(17)26-23(30)24(27(4)5)13-15-28(16-14-24)21-12-7-6-11-20(21)25-19(3)29/h8-10,20-21H,6-7,11-16H2,1-5H3,(H,25,29)(H,26,30)
InChIKeyNOHFRKPFYIVPKQ-UHFFFAOYSA-N
XLogP3.09
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide (CID 70380107) is 1-(2-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide is CC(=O)NC1CCCCC1N1CCC(C(=O)Nc2c(C)cccc2C)(N(C)C)CC1.
What is the InChIKey of 1-(2-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is NOHFRKPFYIVPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-17-9-8-10-18(2)22(17)26-23(30)24(27(4)5)13-15-28(16-14-24)21-12-7-6-11-20(21)25-19(3)29/h8-10,20-21H,6-7,11-16H2,1-5H3,(H,25,29)(H,26,30).
What are the key properties of 1-(2-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
1-(2-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 414.59 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 70380107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).