(5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

C19H25N3O2 — CID 97472155

IUPAC(5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1ccc(CN2CCOC[C@]3(CCN(Cc4ccco4)C3)C2)nc1
InChIInChI=1S/C19H25N3O2/c1-2-7-20-17(4-1)12-22-9-11-23-16-19(15-22)6-8-21(14-19)13-18-5-3-10-24-18/h1-5,7,10H,6,8-9,11-16H2/t19-/m0/s1
InChIKeyNDUGKIBNNWPKES-IBGZPJMESA-N
MW327.43 g/mol
LogP2.40
Rot. Bonds4

About (5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

(5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97472155) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97472155
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1ccc(CN2CCOC[C@]3(CCN(Cc4ccco4)C3)C2)nc1
InChIInChI=1S/C19H25N3O2/c1-2-7-20-17(4-1)12-22-9-11-23-16-19(15-22)6-8-21(14-19)13-18-5-3-10-24-18/h1-5,7,10H,6,8-9,11-16H2/t19-/m0/s1
InChIKeyNDUGKIBNNWPKES-IBGZPJMESA-N
XLogP2.40
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane with MolForge

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Related Compounds

(5S)-10-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472200
11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131652756
(6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494953
2-(oxan-4-yl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131657279
2-(pyridin-2-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131640300
(6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372776
2-[(6S)-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]acetic acid
CID 97495025
(6R)-11-(pyridin-2-ylmethyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494971
2-methylsulfonyl-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131645287
(6R)-2-ethylsulfonyl-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494985
(5R)-10-cyclopropylsulfonyl-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472187
2-(furan-2-ylmethyl)-10-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171696094

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97472155) is (5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is c1ccc(CN2CCOC[C@]3(CCN(Cc4ccco4)C3)C2)nc1.
What is the InChIKey of (5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is NDUGKIBNNWPKES-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-7-20-17(4-1)12-22-9-11-23-16-19(15-22)6-8-21(14-19)13-18-5-3-10-24-18/h1-5,7,10H,6,8-9,11-16H2/t19-/m0/s1.
What are the key properties of (5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
(5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 327.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97472155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).