3-(3-methylbutyl)-8-(piperidin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride

C18H35Cl2N3O2 — CID 154895297

IUPAC3-(3-methylbutyl)-8-(piperidin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
SMILESCC(C)CCN1CC2(CCN(CC3CCCNC3)CC2)OC1=O.Cl.Cl
InChIInChI=1S/C18H33N3O2.2ClH/c1-15(2)5-9-21-14-18(23-17(21)22)6-10-20(11-7-18)13-16-4-3-8-19-12-16;;/h15-16,19H,3-14H2,1-2H3;2*1H
InChIKeyWXEZSLRAWLVCPV-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.16
Rot. Bonds5

About 3-(3-methylbutyl)-8-(piperidin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride

3-(3-methylbutyl)-8-(piperidin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride (PubChem CID 154895297) has the molecular formula C18H35Cl2N3O2 and a molecular weight of 396.40 g/mol. Its IUPAC name is 3-(3-methylbutyl)-8-(piperidin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride.

Molecular Properties

Compound Name3-(3-methylbutyl)-8-(piperidin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
PubChem CID154895297
Molecular FormulaC18H35Cl2N3O2
Molecular Weight396.40 g/mol
Exact Mass395.21
IUPAC Name3-(3-methylbutyl)-8-(piperidin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
SMILESCC(C)CCN1CC2(CCN(CC3CCCNC3)CC2)OC1=O.Cl.Cl
InChIInChI=1S/C18H33N3O2.2ClH/c1-15(2)5-9-21-14-18(23-17(21)22)6-10-20(11-7-18)13-16-4-3-8-19-12-16;;/h15-16,19H,3-14H2,1-2H3;2*1H
InChIKeyWXEZSLRAWLVCPV-UHFFFAOYSA-N
XLogP3.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-methylbutyl)-8-(piperidin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride with MolForge

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Related Compounds

8-(cyclopentylmethyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70709572
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-piperidin-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95874686
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3S)-piperidin-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95874687
4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 115028862
4-[[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methyl]benzoic acid
CID 70776773
(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine
CID 130630857
3-[3-[cyclohexyl(methyl)amino]propyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70777554
8-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70707995
N-[(2S)-2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propyl]ethanesulfonamide
CID 95873146
3-methyl-1-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120849955
8-methyl-3-[2-[methyl(2-methylpropyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70767297
1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride
CID 115031072

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-8-(piperidin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride?
The IUPAC name of 3-(3-methylbutyl)-8-(piperidin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride (CID 154895297) is 3-(3-methylbutyl)-8-(piperidin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride.
What is the SMILES notation for 3-(3-methylbutyl)-8-(piperidin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride?
The canonical SMILES for 3-(3-methylbutyl)-8-(piperidin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride is CC(C)CCN1CC2(CCN(CC3CCCNC3)CC2)OC1=O.Cl.Cl.
What is the InChIKey of 3-(3-methylbutyl)-8-(piperidin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride?
The InChIKey is WXEZSLRAWLVCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2.2ClH/c1-15(2)5-9-21-14-18(23-17(21)22)6-10-20(11-7-18)13-16-4-3-8-19-12-16;;/h15-16,19H,3-14H2,1-2H3;2*1H.
What are the key properties of 3-(3-methylbutyl)-8-(piperidin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride?
3-(3-methylbutyl)-8-(piperidin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride has a molecular weight of 396.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-8-(piperidin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride is sourced from PubChem (CID 154895297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).