2-(3-imidazol-1-ylpropyl)-9-(2-morpholin-3-ylacetyl)-2,9-diazaspiro[5.5]undecan-3-one

C21H33N5O3 — CID 72837357

IUPAC2-(3-imidazol-1-ylpropyl)-9-(2-morpholin-3-ylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(CC1COCCN1)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1
InChIInChI=1S/C21H33N5O3/c27-19-2-3-21(16-26(19)9-1-8-24-12-6-22-17-24)4-10-25(11-5-21)20(28)14-18-15-29-13-7-23-18/h6,12,17-18,23H,1-5,7-11,13-16H2
InChIKeyZFAAIUNUINUDDE-UHFFFAOYSA-N
MW403.53 g/mol
LogP0.88
Rot. Bonds6

About 2-(3-imidazol-1-ylpropyl)-9-(2-morpholin-3-ylacetyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(3-imidazol-1-ylpropyl)-9-(2-morpholin-3-ylacetyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72837357) has the molecular formula C21H33N5O3 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-(3-imidazol-1-ylpropyl)-9-(2-morpholin-3-ylacetyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-imidazol-1-ylpropyl)-9-(2-morpholin-3-ylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72837357
Molecular FormulaC21H33N5O3
Molecular Weight403.53 g/mol
Exact Mass403.26
IUPAC Name2-(3-imidazol-1-ylpropyl)-9-(2-morpholin-3-ylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(CC1COCCN1)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1
InChIInChI=1S/C21H33N5O3/c27-19-2-3-21(16-26(19)9-1-8-24-12-6-22-17-24)4-10-25(11-5-21)20(28)14-18-15-29-13-7-23-18/h6,12,17-18,23H,1-5,7-11,13-16H2
InChIKeyZFAAIUNUINUDDE-UHFFFAOYSA-N
XLogP0.88
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-imidazol-1-ylpropyl)-9-(2-morpholin-3-ylacetyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

3-{2-[4-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl}morpholine
CID 72847432
(3R*,5R*)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72838854
4-{[(3R*,5R*)-5-({4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}carbonyl)piperidin-3-yl]carbonyl}morpholine
CID 72847573
5-{[4-(1H-imidazol-1-ylmethyl)-1-piperidinyl]carbonyl}-1-[3-(4-morpholinyl)propyl]-2-piperidinone
CID 45236464
N-(2-methoxyethyl)-1'-[(1-methyl-1H-imidazol-2-yl)methyl]-1,4'-bipiperidine-3-carboxamide
CID 56745096
1'-[(1-ethyl-1H-imidazol-2-yl)methyl]-3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine
CID 56748956
(3R,5S)-N-isobutyl-1-[(1-methyl-1H-imidazol-2-yl)methyl]-5-(4-morpholinylmethyl)-3-piperidinecarboxamide
CID 56860690
1'-(1H-imidazol-2-ylcarbonyl)-3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine
CID 56869058
2-(2-methoxyethyl)-8-[(1-propyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70726488
9-[2-(1H-imidazol-1-yl)propanoyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72847147
(5R)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one
CID 28786070
(5S)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one
CID 28786073

Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazol-1-ylpropyl)-9-(2-morpholin-3-ylacetyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-imidazol-1-ylpropyl)-9-(2-morpholin-3-ylacetyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72837357) is 2-(3-imidazol-1-ylpropyl)-9-(2-morpholin-3-ylacetyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-imidazol-1-ylpropyl)-9-(2-morpholin-3-ylacetyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-imidazol-1-ylpropyl)-9-(2-morpholin-3-ylacetyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C(CC1COCCN1)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1.
What is the InChIKey of 2-(3-imidazol-1-ylpropyl)-9-(2-morpholin-3-ylacetyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZFAAIUNUINUDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3/c27-19-2-3-21(16-26(19)9-1-8-24-12-6-22-17-24)4-10-25(11-5-21)20(28)14-18-15-29-13-7-23-18/h6,12,17-18,23H,1-5,7-11,13-16H2.
What are the key properties of 2-(3-imidazol-1-ylpropyl)-9-(2-morpholin-3-ylacetyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(3-imidazol-1-ylpropyl)-9-(2-morpholin-3-ylacetyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 403.53 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazol-1-ylpropyl)-9-(2-morpholin-3-ylacetyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72837357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).