N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

C17H31N3O2 — CID 97234169

IUPACN-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCN(C)[C@@H]1CCC[C@H](NC(=O)N2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C17H31N3O2/c1-19(2)15-7-5-6-14(12-15)18-16(21)20-10-11-22-17(13-20)8-3-4-9-17/h14-15H,3-13H2,1-2H3,(H,18,21)/t14-,15+/m0/s1
InChIKeyWQEPLKYUEWGIGE-LSDHHAIUSA-N
MW309.45 g/mol
LogP2.21
Rot. Bonds2

About N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 97234169) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID97234169
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCN(C)[C@@H]1CCC[C@H](NC(=O)N2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C17H31N3O2/c1-19(2)15-7-5-6-14(12-15)18-16(21)20-10-11-22-17(13-20)8-3-4-9-17/h14-15H,3-13H2,1-2H3,(H,18,21)/t14-,15+/m0/s1
InChIKeyWQEPLKYUEWGIGE-LSDHHAIUSA-N
XLogP2.21
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide with MolForge

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Related Compounds

2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid
CID 122026192
(2R)-N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-2-ethyl-2-methylmorpholine-4-carboxamide
CID 100658333
N-cyclopropyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 131650418
N-(1-cyclobutylethyl)-9-imino-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 146114368
N-[3-(morpholine-4-carbonylamino)cyclohexyl]morpholine-4-carboxamide
CID 171722453
(2R)-2-ethyl-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-2-methylmorpholine-4-carboxamide
CID 124829923
1-amino-N-[3-(dimethylamino)cyclohexyl]cyclopropane-1-carboxamide
CID 119889043
4-(cyclopropanecarbonyl)-N-[(1R,3R)-3-(dimethylamino)cyclopentyl]-1,4-diazepane-1-carboxamide
CID 99635622
N-cyclopentyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115610399
N-cyclohexyl-3-(dimethylamino)piperidine-1-carboxamide
CID 115613906
N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 118739092
N-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 75495442

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (CID 97234169) is N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is CN(C)[C@@H]1CCC[C@H](NC(=O)N2CCOC3(CCCC3)C2)C1.
What is the InChIKey of N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is WQEPLKYUEWGIGE-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-19(2)15-7-5-6-14(12-15)18-16(21)20-10-11-22-17(13-20)8-3-4-9-17/h14-15H,3-13H2,1-2H3,(H,18,21)/t14-,15+/m0/s1.
What are the key properties of N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 97234169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).