8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide

C18H24N4O2 — CID 131650245

IUPAC8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
SMILESCN(C)C(=O)N1CCOC2(CCCN(c3cccc(C#N)c3)C2)C1
InChIInChI=1S/C18H24N4O2/c1-20(2)17(23)22-9-10-24-18(14-22)7-4-8-21(13-18)16-6-3-5-15(11-16)12-19/h3,5-6,11H,4,7-10,13-14H2,1-2H3
InChIKeyANFGSJDCZPPKFC-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.91
Rot. Bonds1

About 8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide

8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 131650245) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound Name8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID131650245
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
SMILESCN(C)C(=O)N1CCOC2(CCCN(c3cccc(C#N)c3)C2)C1
InChIInChI=1S/C18H24N4O2/c1-20(2)17(23)22-9-10-24-18(14-22)7-4-8-21(13-18)16-6-3-5-15(11-16)12-19/h3,5-6,11H,4,7-10,13-14H2,1-2H3
InChIKeyANFGSJDCZPPKFC-UHFFFAOYSA-N
XLogP1.91
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97491976
3-(4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)benzonitrile
CID 131643298
(6S)-N,N-dimethyl-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97372463
11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 131656391
3-(3,3-dimethylpyrrolidin-1-yl)benzonitrile
CID 102816849
[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone
CID 134077803
[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone
CID 134074046
3-[2-(2-hydroxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile
CID 134072933
3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile
CID 155874159
(6R)-N-propan-2-yl-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97492184
(1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131656576
6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 100760519

Frequently Asked Questions

What is the IUPAC name of 8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of 8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide (CID 131650245) is 8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for 8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for 8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide is CN(C)C(=O)N1CCOC2(CCCN(c3cccc(C#N)c3)C2)C1.
What is the InChIKey of 8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is ANFGSJDCZPPKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-20(2)17(23)22-9-10-24-18(14-22)7-4-8-21(13-18)16-6-3-5-15(11-16)12-19/h3,5-6,11H,4,7-10,13-14H2,1-2H3.
What are the key properties of 8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 131650245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).