(1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide

C15H22N2O4 — CID 70706286

IUPAC(1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCO[C@H]1C[C@@H](O)C12CCN(C(=O)NCc1ccco1)CC2
InChIInChI=1S/C15H22N2O4/c1-20-13-9-12(18)15(13)4-6-17(7-5-15)14(19)16-10-11-3-2-8-21-11/h2-3,8,12-13,18H,4-7,9-10H2,1H3,(H,16,19)/t12-,13+/m1/s1
InChIKeySRXQJGOVXKJCNT-OLZOCXBDSA-N
MW294.35 g/mol
LogP1.35
Rot. Bonds3

About (1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide

(1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 70706286) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name(1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID70706286
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCO[C@H]1C[C@@H](O)C12CCN(C(=O)NCc1ccco1)CC2
InChIInChI=1S/C15H22N2O4/c1-20-13-9-12(18)15(13)4-6-17(7-5-15)14(19)16-10-11-3-2-8-21-11/h2-3,8,12-13,18H,4-7,9-10H2,1H3,(H,16,19)/t12-,13+/m1/s1
InChIKeySRXQJGOVXKJCNT-OLZOCXBDSA-N
XLogP1.35
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide with MolForge

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Related Compounds

(5R)-N-(furan-2-ylmethyl)-5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 97273108
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CID 113106510
tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 127575362
N-(furan-2-ylmethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 47125598
(3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 126435745
4-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106508
N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 154773668
N-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
CID 91906272
N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103527
N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 86911870
N-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 119068027
N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 16645751

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of (1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide (CID 70706286) is (1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for (1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for (1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide is CO[C@H]1C[C@@H](O)C12CCN(C(=O)NCc1ccco1)CC2.
What is the InChIKey of (1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is SRXQJGOVXKJCNT-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-20-13-9-12(18)15(13)4-6-17(7-5-15)14(19)16-10-11-3-2-8-21-11/h2-3,8,12-13,18H,4-7,9-10H2,1H3,(H,16,19)/t12-,13+/m1/s1.
What are the key properties of (1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide?
(1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 70706286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).