2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one

C19H30N4O3 — CID 72851928

IUPAC2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(C(=O)CCn3cc(C)cn3)CC2)CC1=O
InChIInChI=1S/C19H30N4O3/c1-16-13-20-23(14-16)8-4-17(24)21-9-5-19(6-10-21)12-18(25)22(15-19)7-3-11-26-2/h13-14H,3-12,15H2,1-2H3
InChIKeyKRKDTIPIUVMSGM-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.46
Rot. Bonds7

About 2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one

2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72851928) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72851928
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(C(=O)CCn3cc(C)cn3)CC2)CC1=O
InChIInChI=1S/C19H30N4O3/c1-16-13-20-23(14-16)8-4-17(24)21-9-5-19(6-10-21)12-18(25)22(15-19)7-3-11-26-2/h13-14H,3-12,15H2,1-2H3
InChIKeyKRKDTIPIUVMSGM-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyethyl)-9-[3-(4-methylpyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72905510
2-(3-methoxypropyl)-8-[2-methyl-3-(1,2,4-triazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72904278
8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72927770
2-(3-methoxypropyl)-9-[2-(4-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72904809
2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896118
9-[2-(2,5-dimethylphenyl)acetyl]-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72882721
9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72932656
2-(3-methoxypropyl)-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926962
N-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 72839362
8-(5,6-dimethylpyrimidine-4-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686555
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 56798114
8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70732876

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one (CID 72851928) is 2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one is COCCCN1CC2(CCN(C(=O)CCn3cc(C)cn3)CC2)CC1=O.
What is the InChIKey of 2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is KRKDTIPIUVMSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-16-13-20-23(14-16)8-4-17(24)21-9-5-19(6-10-21)12-18(25)22(15-19)7-3-11-26-2/h13-14H,3-12,15H2,1-2H3.
What are the key properties of 2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one?
2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 362.47 g/mol, XLogP of 1.46, 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-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72851928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).