4-cyano-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzamide

C18H21N3O3 — CID 145307892

IUPAC4-cyano-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzamide
SMILESN#Cc1ccc(C(=O)NCC(=O)N2CCC3(CCOC3)CC2)cc1
InChIInChI=1S/C18H21N3O3/c19-11-14-1-3-15(4-2-14)17(23)20-12-16(22)21-8-5-18(6-9-21)7-10-24-13-18/h1-4H,5-10,12-13H2,(H,20,23)
InChIKeyHVNULXXVYKZCIB-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.32
Rot. Bonds3

About 4-cyano-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzamide

4-cyano-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzamide (PubChem CID 145307892) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-cyano-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzamide
PubChem CID145307892
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-cyano-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzamide
SMILESN#Cc1ccc(C(=O)NCC(=O)N2CCC3(CCOC3)CC2)cc1
InChIInChI=1S/C18H21N3O3/c19-11-14-1-3-15(4-2-14)17(23)20-12-16(22)21-8-5-18(6-9-21)7-10-24-13-18/h1-4H,5-10,12-13H2,(H,20,23)
InChIKeyHVNULXXVYKZCIB-UHFFFAOYSA-N
XLogP1.32
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113338032
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide
CID 171631086
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide
CID 10859192
3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 110712456
4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide
CID 30380859
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide
CID 38376792
2-[1-[3-[(4-cyanobenzoyl)amino]propanoyl]piperidin-4-yl]acetic acid
CID 70048909
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide
CID 112991295
4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 17405365

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzamide (CID 145307892) is 4-cyano-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzamide is N#Cc1ccc(C(=O)NCC(=O)N2CCC3(CCOC3)CC2)cc1.
What is the InChIKey of 4-cyano-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzamide?
The InChIKey is HVNULXXVYKZCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c19-11-14-1-3-15(4-2-14)17(23)20-12-16(22)21-8-5-18(6-9-21)7-10-24-13-18/h1-4H,5-10,12-13H2,(H,20,23).
What are the key properties of 4-cyano-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzamide?
4-cyano-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzamide has a molecular weight of 327.38 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 145307892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).