9-(furan-3-ylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decane

C19H25N3O — CID 118747028

IUPAC9-(furan-3-ylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decane
SMILESc1cc(CN2CCCC23CCCN(Cc2ccoc2)C3)ccn1
InChIInChI=1S/C19H25N3O/c1-6-19(16-21(10-1)13-18-5-12-23-15-18)7-2-11-22(19)14-17-3-8-20-9-4-17/h3-5,8-9,12,15H,1-2,6-7,10-11,13-14,16H2
InChIKeyBKWKSEVTCGYGBF-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.31
Rot. Bonds4

About 9-(furan-3-ylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decane

9-(furan-3-ylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decane (PubChem CID 118747028) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 9-(furan-3-ylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(furan-3-ylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decane
PubChem CID118747028
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name9-(furan-3-ylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decane
SMILESc1cc(CN2CCCC23CCCN(Cc2ccoc2)C3)ccn1
InChIInChI=1S/C19H25N3O/c1-6-19(16-21(10-1)13-18-5-12-23-15-18)7-2-11-22(19)14-17-3-8-20-9-4-17/h3-5,8-9,12,15H,1-2,6-7,10-11,13-14,16H2
InChIKeyBKWKSEVTCGYGBF-UHFFFAOYSA-N
XLogP3.31
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97369823
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 65068552
[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
CID 95043573
9-benzyl-1-(2-methylpropyl)-1,9-diazaspiro[4.5]decane
CID 134070880
1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134078829
1-[1'-(pyridin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethanone
CID 155900251
(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371955
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
8-(furan-3-ylmethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118746825
[(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
CID 97122464
(3S,5S)-9-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371677

Frequently Asked Questions

What is the IUPAC name of 9-(furan-3-ylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(furan-3-ylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decane (CID 118747028) is 9-(furan-3-ylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(furan-3-ylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(furan-3-ylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decane is c1cc(CN2CCCC23CCCN(Cc2ccoc2)C3)ccn1.
What is the InChIKey of 9-(furan-3-ylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decane?
The InChIKey is BKWKSEVTCGYGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-6-19(16-21(10-1)13-18-5-12-23-15-18)7-2-11-22(19)14-17-3-8-20-9-4-17/h3-5,8-9,12,15H,1-2,6-7,10-11,13-14,16H2.
What are the key properties of 9-(furan-3-ylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decane?
9-(furan-3-ylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decane has a molecular weight of 311.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(furan-3-ylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118747028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).