4-(1-methylpyrazol-4-yl)-8-(oxane-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C18H26N4O3 — CID 131660171

IUPAC4-(1-methylpyrazol-4-yl)-8-(oxane-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCn1cc(C2CC(=O)NC23CCN(C(=O)C2CCOCC2)CC3)cn1
InChIInChI=1S/C18H26N4O3/c1-21-12-14(11-19-21)15-10-16(23)20-18(15)4-6-22(7-5-18)17(24)13-2-8-25-9-3-13/h11-13,15H,2-10H2,1H3,(H,20,23)
InChIKeyIGUQNHAGFVLFAL-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.81
Rot. Bonds2

About 4-(1-methylpyrazol-4-yl)-8-(oxane-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

4-(1-methylpyrazol-4-yl)-8-(oxane-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131660171) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-8-(oxane-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-8-(oxane-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131660171
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name4-(1-methylpyrazol-4-yl)-8-(oxane-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCn1cc(C2CC(=O)NC23CCN(C(=O)C2CCOCC2)CC3)cn1
InChIInChI=1S/C18H26N4O3/c1-21-12-14(11-19-21)15-10-16(23)20-18(15)4-6-22(7-5-18)17(24)13-2-8-25-9-3-13/h11-13,15H,2-10H2,1H3,(H,20,23)
InChIKeyIGUQNHAGFVLFAL-UHFFFAOYSA-N
XLogP0.81
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97469703
(4R)-8-[(3R)-oxolane-3-carbonyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470037
(4S)-8-(5-methyl-1,2-oxazole-3-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469866
(4R)-8-(5-methylfuran-2-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 97384121
4-(1-methylpyrazol-4-yl)-8-(1-methylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131640370
(4S)-4-(1-methylpyrazol-4-yl)-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391794
(4S)-8-[(3R)-oxolane-3-carbonyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391774
(4S)-4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469870
(4S)-8-[(3S)-oxolane-3-carbonyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391776
4-(1-methylpyrazol-4-yl)-8-(6-methylpyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131643239
4-(1-methylpyrazol-4-yl)-8-(pyridine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155829009
4-(1-methylpyrazol-4-yl)-8-(2-pyridin-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118743353

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-8-(oxane-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-8-(oxane-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 131660171) is 4-(1-methylpyrazol-4-yl)-8-(oxane-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-8-(oxane-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-8-(oxane-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is Cn1cc(C2CC(=O)NC23CCN(C(=O)C2CCOCC2)CC3)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-8-(oxane-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is IGUQNHAGFVLFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-21-12-14(11-19-21)15-10-16(23)20-18(15)4-6-22(7-5-18)17(24)13-2-8-25-9-3-13/h11-13,15H,2-10H2,1H3,(H,20,23).
What are the key properties of 4-(1-methylpyrazol-4-yl)-8-(oxane-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
4-(1-methylpyrazol-4-yl)-8-(oxane-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 346.43 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-8-(oxane-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131660171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).