8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

C19H30N4O3 — CID 70732876

IUPAC8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCCN1CC2(CCCN(C(=O)CCn3ccnc3)C2)CCC1=O
InChIInChI=1S/C19H30N4O3/c1-26-13-3-10-23-15-19(7-4-17(23)24)6-2-9-22(14-19)18(25)5-11-21-12-8-20-16-21/h8,12,16H,2-7,9-11,13-15H2,1H3
InChIKeyVGDLPGKHDCXGCI-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.54
Rot. Bonds7

About 8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70732876) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70732876
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCCN1CC2(CCCN(C(=O)CCn3ccnc3)C2)CCC1=O
InChIInChI=1S/C19H30N4O3/c1-26-13-3-10-23-15-19(7-4-17(23)24)6-2-9-22(14-19)18(25)5-11-21-12-8-20-16-21/h8,12,16H,2-7,9-11,13-15H2,1H3
InChIKeyVGDLPGKHDCXGCI-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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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Related Compounds

2-(2-methoxyethyl)-8-[4-(2-methylimidazol-1-yl)butanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72889188
(6R)-2-(2-methoxyethyl)-8-[3-(4-methylpiperazin-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97130386
2-butyl-8-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72936910
8-[2-(benzotriazol-2-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72863454
2-(3-methoxypropyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70754929
(6S)-2-(2-methoxyethyl)-8-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97150198
2-(2-methoxyethyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72860662
[2-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]urea
CID 97117307
8-(2-ethoxypyridine-3-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70757089
2-(3-methoxypropyl)-8-(quinoxaline-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70756988
(6R)-8-(2-cyclopentylacetyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97153831
(6R)-2-(3-methoxypropyl)-8-pyrimidin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 95867371

Frequently Asked Questions

What is the IUPAC name of 8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70732876) is 8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one is COCCCN1CC2(CCCN(C(=O)CCn3ccnc3)C2)CCC1=O.
What is the InChIKey of 8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is VGDLPGKHDCXGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-26-13-3-10-23-15-19(7-4-17(23)24)6-2-9-22(14-19)18(25)5-11-21-12-8-20-16-21/h8,12,16H,2-7,9-11,13-15H2,1H3.
What are the key properties of 8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.47 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70732876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).