(1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C19H29N5O2 — CID 146279185

IUPAC(1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCCN(CC)C(=O)C1[C@H]2CN(C3CC4(C3)CN(c3nc(C)no3)C4)C[C@@H]12
InChIInChI=1S/C19H29N5O2/c1-4-22(5-2)17(25)16-14-8-23(9-15(14)16)13-6-19(7-13)10-24(11-19)18-20-12(3)21-26-18/h13-16H,4-11H2,1-3H3/t14-,15+,16?
InChIKeyMDAPSJJJPZVUMT-XYPWUTKMSA-N
MW359.47 g/mol
LogP1.39
Rot. Bonds5

About (1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 146279185) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID146279185
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name(1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCCN(CC)C(=O)C1[C@H]2CN(C3CC4(C3)CN(c3nc(C)no3)C4)C[C@@H]12
InChIInChI=1S/C19H29N5O2/c1-4-22(5-2)17(25)16-14-8-23(9-15(14)16)13-6-19(7-13)10-24(11-19)18-20-12(3)21-26-18/h13-16H,4-11H2,1-3H3/t14-,15+,16?
InChIKeyMDAPSJJJPZVUMT-XYPWUTKMSA-N
XLogP1.39
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

ethyl 2-[(1S,5R)-6-(diethylcarbamoyl)-3-azabicyclo[3.1.0]hexan-3-yl]spiro[3.3]heptane-6-carboxylate
CID 155794878
3-methyl-5-[2-(4-pyrazol-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole
CID 146279175
(Z)-3-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]iminoprop-1-en-1-amine
CID 153377350
N-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 156754685
ethyl 3-[(1S,5R)-6-(diethylcarbamoyl)-3-azabicyclo[3.1.0]hexan-3-yl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 137360309
ethyl 2-[(1R,5S)-6-[cyclopropyl(ethyl)carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 137359845
[(2R)-4,4-difluoro-1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azepan-4-yl]piperidin-4-yl]pyrrolidin-2-yl]methanol
CID 146279260
(1S,5S)-3-(6-ethoxycarbonyl-6-azaspiro[3.4]octan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 137361864
N-methyl-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanamine
CID 106660047
ethyl 2-[(1R,5S)-6-(1,4-oxazocane-4-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 139482470
ethyl 2-[(1S,5R)-6-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 137360355
N,N-diethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 86982229

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 146279185) is (1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CCN(CC)C(=O)C1[C@H]2CN(C3CC4(C3)CN(c3nc(C)no3)C4)C[C@@H]12.
What is the InChIKey of (1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is MDAPSJJJPZVUMT-XYPWUTKMSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-4-22(5-2)17(25)16-14-8-23(9-15(14)16)13-6-19(7-13)10-24(11-19)18-20-12(3)21-26-18/h13-16H,4-11H2,1-3H3/t14-,15+,16?.
What are the key properties of (1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 146279185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).