(6S)-2-(2-methoxyethyl)-8-(5-methyl-1H-imidazole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C17H26N4O3 — CID 97121468

IUPAC(6S)-2-(2-methoxyethyl)-8-(5-methyl-1H-imidazole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1C[C@]2(CCCN(C(=O)c3ncc(C)[nH]3)C2)CCC1=O
InChIInChI=1S/C17H26N4O3/c1-13-10-18-15(19-13)16(23)21-7-3-5-17(12-21)6-4-14(22)20(11-17)8-9-24-2/h10H,3-9,11-12H2,1-2H3,(H,18,19)/t17-/m0/s1
InChIKeyJSLDORYPNZPQSB-KRWDZBQOSA-N
MW334.42 g/mol
LogP1.21
Rot. Bonds4

About (6S)-2-(2-methoxyethyl)-8-(5-methyl-1H-imidazole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-(2-methoxyethyl)-8-(5-methyl-1H-imidazole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97121468) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (6S)-2-(2-methoxyethyl)-8-(5-methyl-1H-imidazole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-(2-methoxyethyl)-8-(5-methyl-1H-imidazole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID97121468
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(6S)-2-(2-methoxyethyl)-8-(5-methyl-1H-imidazole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1C[C@]2(CCCN(C(=O)c3ncc(C)[nH]3)C2)CCC1=O
InChIInChI=1S/C17H26N4O3/c1-13-10-18-15(19-13)16(23)21-7-3-5-17(12-21)6-4-14(22)20(11-17)8-9-24-2/h10H,3-9,11-12H2,1-2H3,(H,18,19)/t17-/m0/s1
InChIKeyJSLDORYPNZPQSB-KRWDZBQOSA-N
XLogP1.21
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-(2-methoxyethyl)-8-(5-methyl-1H-imidazole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-(2-methoxyethyl)-8-(5-methyl-1H-imidazole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 97121468) is (6S)-2-(2-methoxyethyl)-8-(5-methyl-1H-imidazole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-(2-methoxyethyl)-8-(5-methyl-1H-imidazole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-(2-methoxyethyl)-8-(5-methyl-1H-imidazole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is COCCN1C[C@]2(CCCN(C(=O)c3ncc(C)[nH]3)C2)CCC1=O.
What is the InChIKey of (6S)-2-(2-methoxyethyl)-8-(5-methyl-1H-imidazole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is JSLDORYPNZPQSB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-13-10-18-15(19-13)16(23)21-7-3-5-17(12-21)6-4-14(22)20(11-17)8-9-24-2/h10H,3-9,11-12H2,1-2H3,(H,18,19)/t17-/m0/s1.
What are the key properties of (6S)-2-(2-methoxyethyl)-8-(5-methyl-1H-imidazole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-(2-methoxyethyl)-8-(5-methyl-1H-imidazole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 334.42 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(2-methoxyethyl)-8-(5-methyl-1H-imidazole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97121468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).