2-(3-methoxypropyl)-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one

C16H24N4O3 — CID 131643854

IUPAC2-(3-methoxypropyl)-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCCCN2C(=O)c2ccn[nH]2)CC1=O
InChIInChI=1S/C16H24N4O3/c1-23-10-4-8-19-12-16(11-14(19)21)6-2-3-9-20(16)15(22)13-5-7-17-18-13/h5,7H,2-4,6,8-12H2,1H3,(H,17,18)
InChIKeyQUGSEQWWOXESGK-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.04
Rot. Bonds5

About 2-(3-methoxypropyl)-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one

2-(3-methoxypropyl)-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one (PubChem CID 131643854) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
PubChem CID131643854
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-(3-methoxypropyl)-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCCCN2C(=O)c2ccn[nH]2)CC1=O
InChIInChI=1S/C16H24N4O3/c1-23-10-4-8-19-12-16(11-14(19)21)6-2-3-9-20(16)15(22)13-5-7-17-18-13/h5,7H,2-4,6,8-12H2,1H3,(H,17,18)
InChIKeyQUGSEQWWOXESGK-UHFFFAOYSA-N
XLogP1.04
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 131688661
(5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 97484451
(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1H-pyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131687823
[(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 124955168
3-methoxypropyl 1H-pyrazole-5-carboxylate
CID 164717700
2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738840
1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131688792
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
6-(furan-2-carbonyl)-2-methyl-2,6-diazaspiro[4.5]decan-3-one
CID 134073885
4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495690
3-ethyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55165492
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-methoxypropyl)-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one (CID 131643854) is 2-(3-methoxypropyl)-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one is COCCCN1CC2(CCCCN2C(=O)c2ccn[nH]2)CC1=O.
What is the InChIKey of 2-(3-methoxypropyl)-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The InChIKey is QUGSEQWWOXESGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-23-10-4-8-19-12-16(11-14(19)21)6-2-3-9-20(16)15(22)13-5-7-17-18-13/h5,7H,2-4,6,8-12H2,1H3,(H,17,18).
What are the key properties of 2-(3-methoxypropyl)-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
2-(3-methoxypropyl)-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one has a molecular weight of 320.39 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 131643854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).