8-(cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one

C18H24N4O2 — CID 118739336

IUPAC8-(cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCn1cc(C2CC(=O)NC23CCN(C(=O)C2CC=CC2)CC3)cn1
InChIInChI=1S/C18H24N4O2/c1-21-12-14(11-19-21)15-10-16(23)20-18(15)6-8-22(9-7-18)17(24)13-4-2-3-5-13/h2-3,11-13,15H,4-10H2,1H3,(H,20,23)
InChIKeyVCHTXVFDBNUIIV-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.35
Rot. Bonds2

About 8-(cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one

8-(cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118739336) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 8-(cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118739336
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name8-(cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCn1cc(C2CC(=O)NC23CCN(C(=O)C2CC=CC2)CC3)cn1
InChIInChI=1S/C18H24N4O2/c1-21-12-14(11-19-21)15-10-16(23)20-18(15)6-8-22(9-7-18)17(24)13-4-2-3-5-13/h2-3,11-13,15H,4-10H2,1H3,(H,20,23)
InChIKeyVCHTXVFDBNUIIV-UHFFFAOYSA-N
XLogP1.35
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

rac-(4R,5S)-4-(aminomethyl)-1-tert-butyl-5-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 122164143
4-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 66107601
6-(2-methylpropyl)-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 84596675
8-(Cyclopent-3-ene-1-carbonyl)-1-ethyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 118739097
N-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide
CID 118739346
N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 118739348
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
1-Methyl-4-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118742342
8-(Cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 118744096
rac-(3R,4S)-N-methyl-4-(1-methyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 119031227

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one (CID 118739336) is 8-(cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one is Cn1cc(C2CC(=O)NC23CCN(C(=O)C2CC=CC2)CC3)cn1.
What is the InChIKey of 8-(cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VCHTXVFDBNUIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21-12-14(11-19-21)15-10-16(23)20-18(15)6-8-22(9-7-18)17(24)13-4-2-3-5-13/h2-3,11-13,15H,4-10H2,1H3,(H,20,23).
What are the key properties of 8-(cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
8-(cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 328.42 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118739336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).