(5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride

C14H20BrClN2O3 — CID 146071861

IUPAC(5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(Br)o1)N1CC(CO)C2(CCNCC2)C1
InChIInChI=1S/C14H19BrN2O3.ClH/c15-12-2-1-11(20-12)13(19)17-7-10(8-18)14(9-17)3-5-16-6-4-14;/h1-2,10,16,18H,3-9H2;1H
InChIKeyIXEAEICCNZJFHL-UHFFFAOYSA-N
MW379.68 g/mol
LogP1.90
Rot. Bonds2

About (5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride

(5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride (PubChem CID 146071861) has the molecular formula C14H20BrClN2O3 and a molecular weight of 379.68 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride
PubChem CID146071861
Molecular FormulaC14H20BrClN2O3
Molecular Weight379.68 g/mol
Exact Mass378.03
IUPAC Name(5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(Br)o1)N1CC(CO)C2(CCNCC2)C1
InChIInChI=1S/C14H19BrN2O3.ClH/c15-12-2-1-11(20-12)13(19)17-7-10(8-18)14(9-17)3-5-16-6-4-14;/h1-2,10,16,18H,3-9H2;1H
InChIKeyIXEAEICCNZJFHL-UHFFFAOYSA-N
XLogP1.90
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.68
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride with MolForge

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Related Compounds

4-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 91921670
(5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone
CID 130531342
2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride
CID 146064641
(5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781615
2-cyclohexyl-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91910406
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231
(5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662274
[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99728174
(5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone
CID 121164470
(5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone
CID 163346718
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride?
The IUPAC name of (5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride (CID 146071861) is (5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride?
The canonical SMILES for (5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride is Cl.O=C(c1ccc(Br)o1)N1CC(CO)C2(CCNCC2)C1.
What is the InChIKey of (5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride?
The InChIKey is IXEAEICCNZJFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3.ClH/c15-12-2-1-11(20-12)13(19)17-7-10(8-18)14(9-17)3-5-16-6-4-14;/h1-2,10,16,18H,3-9H2;1H.
What are the key properties of (5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride?
(5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride has a molecular weight of 379.68 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride is sourced from PubChem (CID 146071861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).