N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide

C14H24N4O — CID 43340980

IUPACN-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide
SMILESN#CC1(NC(=O)CN2CCCNCC2)CCCCC1
InChIInChI=1S/C14H24N4O/c15-12-14(5-2-1-3-6-14)17-13(19)11-18-9-4-7-16-8-10-18/h16H,1-11H2,(H,17,19)
InChIKeyWYGUJDUKIZCZLL-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.62
Rot. Bonds3

About N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide

N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide (PubChem CID 43340980) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide
PubChem CID43340980
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide
SMILESN#CC1(NC(=O)CN2CCCNCC2)CCCCC1
InChIInChI=1S/C14H24N4O/c15-12-14(5-2-1-3-6-14)17-13(19)11-18-9-4-7-16-8-10-18/h16H,1-11H2,(H,17,19)
InChIKeyWYGUJDUKIZCZLL-UHFFFAOYSA-N
XLogP0.62
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide
CID 43090468
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975491
N-(1-cyanocyclopentyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787236
1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 55121397
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(1-cyanocyclohexyl)acetamide
CID 60917389
2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid
CID 64683313
N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 51980802
N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 47281127
N-(1-cyanocyclopentyl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide
CID 63265641
N-(1-cyanocyclopentyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 47104633
N-(1-cyanocyclopentyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 115874111

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide (CID 43340980) is N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide is N#CC1(NC(=O)CN2CCCNCC2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide?
The InChIKey is WYGUJDUKIZCZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c15-12-14(5-2-1-3-6-14)17-13(19)11-18-9-4-7-16-8-10-18/h16H,1-11H2,(H,17,19).
What are the key properties of N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide?
N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide has a molecular weight of 264.37 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 43340980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).