6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

C19H27N3O4 — CID 146066813

IUPAC6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESCOCCCN1C(=O)CCN(C(=O)Cc2cccnc2)CC12CCOC2
InChIInChI=1S/C19H27N3O4/c1-25-10-3-8-22-17(23)5-9-21(14-19(22)6-11-26-15-19)18(24)12-16-4-2-7-20-13-16/h2,4,7,13H,3,5-6,8-12,14-15H2,1H3
InChIKeyVFZRZLZIKVCJRH-UHFFFAOYSA-N
MW361.44 g/mol
LogP0.88
Rot. Bonds6

About 6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (PubChem CID 146066813) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
PubChem CID146066813
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESCOCCCN1C(=O)CCN(C(=O)Cc2cccnc2)CC12CCOC2
InChIInChI=1S/C19H27N3O4/c1-25-10-3-8-22-17(23)5-9-21(14-19(22)6-11-26-15-19)18(24)12-16-4-2-7-20-13-16/h2,4,7,13H,3,5-6,8-12,14-15H2,1H3
InChIKeyVFZRZLZIKVCJRH-UHFFFAOYSA-N
XLogP0.88
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-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

10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066890
6-(3-methoxypropyl)-10-methylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068017
10-(6-methoxy-1H-indole-2-carbonyl)-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066846
6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146070657
6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
CID 146070649
6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066809
(5R)-9-(3-methoxypropanoyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485114
1-[(3R,5R)-3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-pyridin-3-ylethanone
CID 97393983
2-(3-methoxypropyl)-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926962
10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066774
1-[(5S)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone
CID 97472026
1-(4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-pyridin-3-ylethanone
CID 131911352

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The IUPAC name of 6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (CID 146066813) is 6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.
What is the SMILES notation for 6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The canonical SMILES for 6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is COCCCN1C(=O)CCN(C(=O)Cc2cccnc2)CC12CCOC2.
What is the InChIKey of 6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The InChIKey is VFZRZLZIKVCJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-25-10-3-8-22-17(23)5-9-21(14-19(22)6-11-26-15-19)18(24)12-16-4-2-7-20-13-16/h2,4,7,13H,3,5-6,8-12,14-15H2,1H3.
What are the key properties of 6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one has a molecular weight of 361.44 g/mol, XLogP of 0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 146066813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).