1-methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

C19H30N4O2 — CID 118742342

IUPAC1-methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC(c2cnn(C)c2)C12CCN(CC1CCOCC1)CC2
InChIInChI=1S/C19H30N4O2/c1-21-14-16(12-20-21)17-11-18(24)22(2)19(17)5-7-23(8-6-19)13-15-3-9-25-10-4-15/h12,14-15,17H,3-11,13H2,1-2H3
InChIKeyCONZULOVBPCHOK-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.63
Rot. Bonds3

About 1-methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

1-methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118742342) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118742342
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC(c2cnn(C)c2)C12CCN(CC1CCOCC1)CC2
InChIInChI=1S/C19H30N4O2/c1-21-14-16(12-20-21)17-11-18(24)22(2)19(17)5-7-23(8-6-19)13-15-3-9-25-10-4-15/h12,14-15,17H,3-11,13H2,1-2H3
InChIKeyCONZULOVBPCHOK-UHFFFAOYSA-N
XLogP1.63
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R*,4R*)-3-methyl-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72845002
8-(Cyclopent-3-ene-1-carbonyl)-1-ethyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 118739097
8-(Cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 118739336
N-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide
CID 118739346
8-(2-Methoxyacetyl)-3-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 118739600
N,N,1-trimethyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 118741028
8-(Cyclopent-3-ene-1-carbonyl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 118741191
8-(Cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 118744096
1-Methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118742341
tert-butyl 4-[2-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 164632940
3-(1-Methylpyrazol-4-yl)-1-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]propan-1-one
CID 137887788
4-(1-Methylpyrazol-4-yl)-8-(oxolan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155825929

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 118742342) is 1-methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)CC(c2cnn(C)c2)C12CCN(CC1CCOCC1)CC2.
What is the InChIKey of 1-methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CONZULOVBPCHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-21-14-16(12-20-21)17-11-18(24)22(2)19(17)5-7-23(8-6-19)13-15-3-9-25-10-4-15/h12,14-15,17H,3-11,13H2,1-2H3.
What are the key properties of 1-methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
1-methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 346.48 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118742342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).