2-(3-methoxypropyl)-8-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-2,8-diazaspiro[4.5]decan-3-one

C19H30N4O3 — CID 97204853

IUPAC2-(3-methoxypropyl)-8-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(C(=O)[C@@H](C)Cn3cccn3)CC2)CC1=O
InChIInChI=1S/C19H30N4O3/c1-16(14-23-9-3-7-20-23)18(25)21-10-5-19(6-11-21)13-17(24)22(15-19)8-4-12-26-2/h3,7,9,16H,4-6,8,10-15H2,1-2H3/t16-/m0/s1
InChIKeyBAFOOIWCRWSKTR-INIZCTEOSA-N
MW362.47 g/mol
LogP1.40
Rot. Bonds7

About 2-(3-methoxypropyl)-8-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-2,8-diazaspiro[4.5]decan-3-one

2-(3-methoxypropyl)-8-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97204853) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-8-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-8-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97204853
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name2-(3-methoxypropyl)-8-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(C(=O)[C@@H](C)Cn3cccn3)CC2)CC1=O
InChIInChI=1S/C19H30N4O3/c1-16(14-23-9-3-7-20-23)18(25)21-10-5-19(6-11-21)13-17(24)22(15-19)8-4-12-26-2/h3,7,9,16H,4-6,8,10-15H2,1-2H3/t16-/m0/s1
InChIKeyBAFOOIWCRWSKTR-INIZCTEOSA-N
XLogP1.40
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-8-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-methoxypropyl)-8-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-2,8-diazaspiro[4.5]decan-3-one (CID 97204853) is 2-(3-methoxypropyl)-8-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-8-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-8-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-2,8-diazaspiro[4.5]decan-3-one is COCCCN1CC2(CCN(C(=O)[C@@H](C)Cn3cccn3)CC2)CC1=O.
What is the InChIKey of 2-(3-methoxypropyl)-8-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is BAFOOIWCRWSKTR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-16(14-23-9-3-7-20-23)18(25)21-10-5-19(6-11-21)13-17(24)22(15-19)8-4-12-26-2/h3,7,9,16H,4-6,8,10-15H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-(3-methoxypropyl)-8-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-2,8-diazaspiro[4.5]decan-3-one?
2-(3-methoxypropyl)-8-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 362.47 g/mol, XLogP of 1.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-8-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97204853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).