(6S)-2-(2-methoxyethyl)-8-(1-methylimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C17H26N4O3 — CID 125159569

IUPAC(6S)-2-(2-methoxyethyl)-8-(1-methylimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1C[C@]2(CCCN(C(=O)c3cn(C)cn3)C2)CCC1=O
InChIInChI=1S/C17H26N4O3/c1-19-10-14(18-13-19)16(23)21-7-3-5-17(12-21)6-4-15(22)20(11-17)8-9-24-2/h10,13H,3-9,11-12H2,1-2H3/t17-/m0/s1
InChIKeyFKMIEVBNVMLLBO-KRWDZBQOSA-N
MW334.42 g/mol
LogP0.91
Rot. Bonds4

About (6S)-2-(2-methoxyethyl)-8-(1-methylimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-(2-methoxyethyl)-8-(1-methylimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 125159569) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (6S)-2-(2-methoxyethyl)-8-(1-methylimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-(2-methoxyethyl)-8-(1-methylimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID125159569
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(6S)-2-(2-methoxyethyl)-8-(1-methylimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1C[C@]2(CCCN(C(=O)c3cn(C)cn3)C2)CCC1=O
InChIInChI=1S/C17H26N4O3/c1-19-10-14(18-13-19)16(23)21-7-3-5-17(12-21)6-4-15(22)20(11-17)8-9-24-2/h10,13H,3-9,11-12H2,1-2H3/t17-/m0/s1
InChIKeyFKMIEVBNVMLLBO-KRWDZBQOSA-N
XLogP0.91
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-(2-methoxyethyl)-8-(1-methylimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-(2-methoxyethyl)-8-(1-methylimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 125159569) is (6S)-2-(2-methoxyethyl)-8-(1-methylimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-(2-methoxyethyl)-8-(1-methylimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-(2-methoxyethyl)-8-(1-methylimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is COCCN1C[C@]2(CCCN(C(=O)c3cn(C)cn3)C2)CCC1=O.
What is the InChIKey of (6S)-2-(2-methoxyethyl)-8-(1-methylimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is FKMIEVBNVMLLBO-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-19-10-14(18-13-19)16(23)21-7-3-5-17(12-21)6-4-15(22)20(11-17)8-9-24-2/h10,13H,3-9,11-12H2,1-2H3/t17-/m0/s1.
What are the key properties of (6S)-2-(2-methoxyethyl)-8-(1-methylimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-(2-methoxyethyl)-8-(1-methylimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 334.42 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(2-methoxyethyl)-8-(1-methylimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 125159569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).