N-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide

C17H23N3O3 — CID 134072540

IUPACN-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NCc1ccco1)C1CC12CCN(C(=O)N1CCCC1)C2
InChIInChI=1S/C17H23N3O3/c21-15(18-11-13-4-3-9-23-13)14-10-17(14)5-8-20(12-17)16(22)19-6-1-2-7-19/h3-4,9,14H,1-2,5-8,10-12H2,(H,18,21)
InChIKeyTXEUJROACBFCJV-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.82
Rot. Bonds3

About N-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide

N-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 134072540) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID134072540
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NCc1ccco1)C1CC12CCN(C(=O)N1CCCC1)C2
InChIInChI=1S/C17H23N3O3/c21-15(18-11-13-4-3-9-23-13)14-10-17(14)5-8-20(12-17)16(22)19-6-1-2-7-19/h3-4,9,14H,1-2,5-8,10-12H2,(H,18,21)
InChIKeyTXEUJROACBFCJV-UHFFFAOYSA-N
XLogP1.82
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131645501
(2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492854
(2R,3S)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492855
(2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42539996
(2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide
CID 97396681
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131808
(2R,3R)-5-(3-fluoro-4-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 98778353
[1-(furan-2-ylmethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyrrolidin-1-ylmethanone
CID 131662640
1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974620
3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 108945088
N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-2-sulfanylideneacetamide
CID 2975846
N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958739

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide (CID 134072540) is N-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide is O=C(NCc1ccco1)C1CC12CCN(C(=O)N1CCCC1)C2.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is TXEUJROACBFCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-15(18-11-13-4-3-9-23-13)14-10-17(14)5-8-20(12-17)16(22)19-6-1-2-7-19/h3-4,9,14H,1-2,5-8,10-12H2,(H,18,21).
What are the key properties of N-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
N-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 134072540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).