10-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane

C18H30N4O2 — CID 118741067

IUPAC10-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCn1cc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)cn1
InChIInChI=1S/C18H30N4O2/c1-20-11-16(10-19-20)12-21-6-9-24-15-18(13-21)4-5-22(14-18)17-2-7-23-8-3-17/h10-11,17H,2-9,12-15H2,1H3
InChIKeyMBTWTMYQSJMESG-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.12
Rot. Bonds3

About 10-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane

10-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 118741067) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 10-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID118741067
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name10-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCn1cc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)cn1
InChIInChI=1S/C18H30N4O2/c1-20-11-16(10-19-20)12-21-6-9-24-15-18(13-21)4-5-22(14-18)17-2-7-23-8-3-17/h10-11,17H,2-9,12-15H2,1H3
InChIKeyMBTWTMYQSJMESG-UHFFFAOYSA-N
XLogP1.12
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane with MolForge

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Related Compounds

(2-methoxyethyl)[(1-methyl-1H-pyrazol-4-yl)methyl](tetrahydrofuran-3-ylmethyl)amine
CID 46984579
(5aS,8aS)-7-cyclopentyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 97420345
(3aS,7R,7aR)-N,N-diethyl-2-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-amine
CID 97461293
3-(Methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 118746971
[8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91922267
{8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]dec-4-yl}methyl methyl ether
CID 91922313
10-[(1-Methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155864213
10-[(1-Methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171695033
7-(2-methoxyethyl)-2-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 45244315
4-[(1-Methylpyrazol-4-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 131639933
4-Methyl-1-(oxan-3-yl)pyrazole
CID 90145852
4-Tert-butyl-1-(oxan-3-yl)pyrazole
CID 118371033

Frequently Asked Questions

What is the IUPAC name of 10-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 118741067) is 10-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane is Cn1cc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)cn1.
What is the InChIKey of 10-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is MBTWTMYQSJMESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-20-11-16(10-19-20)12-21-6-9-24-15-18(13-21)4-5-22(14-18)17-2-7-23-8-3-17/h10-11,17H,2-9,12-15H2,1H3.
What are the key properties of 10-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
10-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 334.46 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118741067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).