N-(1-cyanocyclooctyl)azepane-1-carboxamide

C16H27N3O — CID 79152545

IUPACN-(1-cyanocyclooctyl)azepane-1-carboxamide
SMILESN#CC1(NC(=O)N2CCCCCC2)CCCCCCC1
InChIInChI=1S/C16H27N3O/c17-14-16(10-6-2-1-3-7-11-16)18-15(20)19-12-8-4-5-9-13-19/h1-13H2,(H,18,20)
InChIKeyCVLFMCLDHCMZFA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.58
Rot. Bonds1

About N-(1-cyanocyclooctyl)azepane-1-carboxamide

N-(1-cyanocyclooctyl)azepane-1-carboxamide (PubChem CID 79152545) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)azepane-1-carboxamide
PubChem CID79152545
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(1-cyanocyclooctyl)azepane-1-carboxamide
SMILESN#CC1(NC(=O)N2CCCCCC2)CCCCCCC1
InChIInChI=1S/C16H27N3O/c17-14-16(10-6-2-1-3-7-11-16)18-15(20)19-12-8-4-5-9-13-19/h1-13H2,(H,18,20)
InChIKeyCVLFMCLDHCMZFA-UHFFFAOYSA-N
XLogP3.58
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocyclopentyl)-4-methylpiperidine-1-carboxamide
CID 79159449
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(1-cyanocyclooctyl)cyclohexanecarboxamide
CID 54904581
N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide
CID 60968681
N-(1-cyanocycloheptyl)-2,2-difluoroacetamide
CID 103513731
N-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide
CID 79151741
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 51073773
1-(1-cyanocyclooctyl)-3-propan-2-ylurea
CID 61124743
2-bromo-N-(1-cyanocycloheptyl)propanamide
CID 107903353
N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide
CID 79160127
N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide
CID 43090468

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)azepane-1-carboxamide?
The IUPAC name of N-(1-cyanocyclooctyl)azepane-1-carboxamide (CID 79152545) is N-(1-cyanocyclooctyl)azepane-1-carboxamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)azepane-1-carboxamide?
The canonical SMILES for N-(1-cyanocyclooctyl)azepane-1-carboxamide is N#CC1(NC(=O)N2CCCCCC2)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)azepane-1-carboxamide?
The InChIKey is CVLFMCLDHCMZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c17-14-16(10-6-2-1-3-7-11-16)18-15(20)19-12-8-4-5-9-13-19/h1-13H2,(H,18,20).
What are the key properties of N-(1-cyanocyclooctyl)azepane-1-carboxamide?
N-(1-cyanocyclooctyl)azepane-1-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)azepane-1-carboxamide is sourced from PubChem (CID 79152545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).