1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C14H22N2O3 — CID 167316856

IUPAC1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2([C@@H]2CCCCC23OCCO3)N1
InChIInChI=1S/C14H22N2O3/c15-12(17)10-7-9-8-13(9,16-10)11-3-1-2-4-14(11)18-5-6-19-14/h9-11,16H,1-8H2,(H2,15,17)/t9?,10?,11-,13?/m0/s1
InChIKeyNYZPFTCPRKXJHS-FOBZMYGMSA-N
MW266.34 g/mol
LogP0.53
Rot. Bonds2

About 1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 167316856) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID167316856
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2([C@@H]2CCCCC23OCCO3)N1
InChIInChI=1S/C14H22N2O3/c15-12(17)10-7-9-8-13(9,16-10)11-3-1-2-4-14(11)18-5-6-19-14/h9-11,16H,1-8H2,(H2,15,17)/t9?,10?,11-,13?/m0/s1
InChIKeyNYZPFTCPRKXJHS-FOBZMYGMSA-N
XLogP0.53
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Related Compounds

1-azaspiro[3.4]octane-2-carboxamide
CID 162470120
5-nitrospiro[1,2,3,4,5,6,7,8a-octahydronaphthalene-8,2'-1,3-dioxolane]-4a-ol
CID 559734
1,4-dioxaspiro[4.6]undecane-6-carboxylic acid
CID 131629776
(3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol
CID 102125811
(6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane
CID 98041196
(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol
CID 130977943
(1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid
CID 134917059
3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide
CID 7336205
2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide
CID 121001643
(2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 124506458
(8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide
CID 158487306
(2S)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 57059151

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 167316856) is 1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is NC(=O)C1CC2CC2([C@@H]2CCCCC23OCCO3)N1.
What is the InChIKey of 1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is NYZPFTCPRKXJHS-FOBZMYGMSA-N. The full InChI is InChI=1S/C14H22N2O3/c15-12(17)10-7-9-8-13(9,16-10)11-3-1-2-4-14(11)18-5-6-19-14/h9-11,16H,1-8H2,(H2,15,17)/t9?,10?,11-,13?/m0/s1.
What are the key properties of 1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 167316856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).