(3R)-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine

C14H21N3O — CID 155184138

IUPAC(3R)-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine
SMILESCC(C)N1CCC2(CC1)Oc1ncccc1[C@H]2N
InChIInChI=1S/C14H21N3O/c1-10(2)17-8-5-14(6-9-17)12(15)11-4-3-7-16-13(11)18-14/h3-4,7,10,12H,5-6,8-9,15H2,1-2H3/t12-/m1/s1
InChIKeyMRMQZVUQUBGMCJ-GFCCVEGCSA-N
MW247.34 g/mol
LogP1.72
Rot. Bonds1

About (3R)-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine

(3R)-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine (PubChem CID 155184138) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (3R)-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine.

Molecular Properties

Compound Name(3R)-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine
PubChem CID155184138
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(3R)-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine
SMILESCC(C)N1CCC2(CC1)Oc1ncccc1[C@H]2N
InChIInChI=1S/C14H21N3O/c1-10(2)17-8-5-14(6-9-17)12(15)11-4-3-7-16-13(11)18-14/h3-4,7,10,12H,5-6,8-9,15H2,1-2H3/t12-/m1/s1
InChIKeyMRMQZVUQUBGMCJ-GFCCVEGCSA-N
XLogP1.72
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine?
The IUPAC name of (3R)-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine (CID 155184138) is (3R)-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine.
What is the SMILES notation for (3R)-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine?
The canonical SMILES for (3R)-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine is CC(C)N1CCC2(CC1)Oc1ncccc1[C@H]2N.
What is the InChIKey of (3R)-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine?
The InChIKey is MRMQZVUQUBGMCJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)17-8-5-14(6-9-17)12(15)11-4-3-7-16-13(11)18-14/h3-4,7,10,12H,5-6,8-9,15H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine?
(3R)-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine has a molecular weight of 247.34 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine is sourced from PubChem (CID 155184138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).