3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

C13H21ClN4O2 — CID 154925029

IUPAC3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCc1c(CN2CC3(CCNCC3)OC2=O)cnn1C.Cl
InChIInChI=1S/C13H20N4O2.ClH/c1-10-11(7-15-16(10)2)8-17-9-13(19-12(17)18)3-5-14-6-4-13;/h7,14H,3-6,8-9H2,1-2H3;1H
InChIKeyRBENSUYKLJYKSC-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.22
Rot. Bonds2

About 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 154925029) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
PubChem CID154925029
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCc1c(CN2CC3(CCNCC3)OC2=O)cnn1C.Cl
InChIInChI=1S/C13H20N4O2.ClH/c1-10-11(7-15-16(10)2)8-17-9-13(19-12(17)18)3-5-14-6-4-13;/h7,14H,3-6,8-9H2,1-2H3;1H
InChIKeyRBENSUYKLJYKSC-UHFFFAOYSA-N
XLogP1.22
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzothiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72881914
3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 115067366
3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 131262021
3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72923701
7-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 106040440
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylpiperidine-4-carboxamide
CID 106047304
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
CID 72906523
3-(4-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66764577
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72880131
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
CID 72891932
3-(1,5-dimethylpyrazol-4-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
CID 138002858
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 106033262

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (CID 154925029) is 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.
What is the SMILES notation for 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The canonical SMILES for 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is Cc1c(CN2CC3(CCNCC3)OC2=O)cnn1C.Cl.
What is the InChIKey of 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The InChIKey is RBENSUYKLJYKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.ClH/c1-10-11(7-15-16(10)2)8-17-9-13(19-12(17)18)3-5-14-6-4-13;/h7,14H,3-6,8-9H2,1-2H3;1H.
What are the key properties of 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is sourced from PubChem (CID 154925029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).