[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate

C16H23N3O4 — CID 7728046

IUPAC[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
SMILESN#CC1(NC(=O)COC(=O)CN2CCCCCC2=O)CCCC1
InChIInChI=1S/C16H23N3O4/c17-12-16(7-3-4-8-16)18-13(20)11-23-15(22)10-19-9-5-1-2-6-14(19)21/h1-11H2,(H,18,20)
InChIKeyRJOSUFPMCANBPD-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.88
Rot. Bonds5

About [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate (PubChem CID 7728046) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate.

Molecular Properties

Compound Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
PubChem CID7728046
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
SMILESN#CC1(NC(=O)COC(=O)CN2CCCCCC2=O)CCCC1
InChIInChI=1S/C16H23N3O4/c17-12-16(7-3-4-8-16)18-13(20)11-23-15(22)10-19-9-5-1-2-6-14(19)21/h1-11H2,(H,18,20)
InChIKeyRJOSUFPMCANBPD-UHFFFAOYSA-N
XLogP0.88
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46792293
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7940070
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 7225982
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804477
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate
CID 7717691
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7580119
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
CID 26039921
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727873
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727959
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7187170
3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate
CID 55401507
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
The IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate (CID 7728046) is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate.
What is the SMILES notation for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
The canonical SMILES for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate is N#CC1(NC(=O)COC(=O)CN2CCCCCC2=O)CCCC1.
What is the InChIKey of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
The InChIKey is RJOSUFPMCANBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c17-12-16(7-3-4-8-16)18-13(20)11-23-15(22)10-19-9-5-1-2-6-14(19)21/h1-11H2,(H,18,20).
What are the key properties of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate?
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate has a molecular weight of 321.38 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate is sourced from PubChem (CID 7728046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).