2-(10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide;dihydrochloride

C12H25Cl2N3O2 — CID 44668114

IUPAC2-(10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide;dihydrochloride
SMILESCC1(C)CC2(CCO1)CN(CC(N)=O)CCN2.Cl.Cl
InChIInChI=1S/C12H23N3O2.2ClH/c1-11(2)8-12(3-6-17-11)9-15(5-4-14-12)7-10(13)16;;/h14H,3-9H2,1-2H3,(H2,13,16);2*1H
InChIKeyCOBRRYLRFOGHSK-UHFFFAOYSA-N
MW314.26 g/mol
LogP0.55
Rot. Bonds2

About 2-(10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide;dihydrochloride

2-(10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide;dihydrochloride (PubChem CID 44668114) has the molecular formula C12H25Cl2N3O2 and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-(10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide;dihydrochloride
PubChem CID44668114
Molecular FormulaC12H25Cl2N3O2
Molecular Weight314.26 g/mol
Exact Mass313.13
IUPAC Name2-(10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide;dihydrochloride
SMILESCC1(C)CC2(CCO1)CN(CC(N)=O)CCN2.Cl.Cl
InChIInChI=1S/C12H23N3O2.2ClH/c1-11(2)8-12(3-6-17-11)9-15(5-4-14-12)7-10(13)16;;/h14H,3-9H2,1-2H3,(H2,13,16);2*1H
InChIKeyCOBRRYLRFOGHSK-UHFFFAOYSA-N
XLogP0.55
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide
CID 130684724
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 130562485
(5S)-9-ethyl-2-oxa-6,9-diazaspiro[4.5]decane
CID 129498775
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]acetamide
CID 114779554
2-(3-cyano-3-methylpiperidin-1-yl)acetamide
CID 130666840
4-ethyl-1,4,9-triazaspiro[5.5]undecane
CID 167290889
2-[(2S)-2-methyl-2-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]acetamide
CID 124640953
2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide
CID 102850141
ethane;7-ethyl-4,7-diazaspiro[2.5]octane
CID 176567452
9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane
CID 107901364
4-[(1-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64954612
λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 163474801

Frequently Asked Questions

What is the IUPAC name of 2-(10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-(10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide;dihydrochloride (CID 44668114) is 2-(10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-(10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide;dihydrochloride is CC1(C)CC2(CCO1)CN(CC(N)=O)CCN2.Cl.Cl.
What is the InChIKey of 2-(10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide;dihydrochloride?
The InChIKey is COBRRYLRFOGHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.2ClH/c1-11(2)8-12(3-6-17-11)9-15(5-4-14-12)7-10(13)16;;/h14H,3-9H2,1-2H3,(H2,13,16);2*1H.
What are the key properties of 2-(10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide;dihydrochloride?
2-(10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide;dihydrochloride has a molecular weight of 314.26 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,10-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 44668114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).