N-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide

C24H37N3O2 — CID 112822832

IUPACN-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NCC(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C24H37N3O2/c1-18-14-19(2)17-27(16-18)24(29)21-12-8-9-13-22(21)25-15-23(28)26-20-10-6-4-3-5-7-11-20/h8-9,12-13,18-20,25H,3-7,10-11,14-17H2,1-2H3,(H,26,28)
InChIKeyRDYKYLRZHRFOGZ-UHFFFAOYSA-N
MW399.58 g/mol
LogP4.45
Rot. Bonds5

About N-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide

N-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide (PubChem CID 112822832) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is N-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide
PubChem CID112822832
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC NameN-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NCC(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C24H37N3O2/c1-18-14-19(2)17-27(16-18)24(29)21-12-8-9-13-22(21)25-15-23(28)26-20-10-6-4-3-5-7-11-20/h8-9,12-13,18-20,25H,3-7,10-11,14-17H2,1-2H3,(H,26,28)
InChIKeyRDYKYLRZHRFOGZ-UHFFFAOYSA-N
XLogP4.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide
CID 36864784
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 86930985
N-cycloheptyl-2-(2-ethylanilino)acetamide
CID 60631370
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
CID 86911442
N-cyclohexyl-2-(2-iodoanilino)acetamide
CID 28878262
N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide
CID 71882424
(3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone
CID 131960945
4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 102554567
N-[2-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-oxoethyl]-2-phenylacetamide
CID 51942969
2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 16606580
2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide
CID 25349530
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide (CID 112822832) is N-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide is CC1CC(C)CN(C(=O)c2ccccc2NCC(=O)NC2CCCCCCC2)C1.
What is the InChIKey of N-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide?
The InChIKey is RDYKYLRZHRFOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-18-14-19(2)17-27(16-18)24(29)21-12-8-9-13-22(21)25-15-23(28)26-20-10-6-4-3-5-7-11-20/h8-9,12-13,18-20,25H,3-7,10-11,14-17H2,1-2H3,(H,26,28).
What are the key properties of N-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide?
N-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide has a molecular weight of 399.58 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 112822832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).