(5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one

C17H26N4O3 — CID 124820106

IUPAC(5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESCOCCN1CC[C@]2(CCCN(C(=O)c3nccn3C)CC2)C1=O
InChIInChI=1S/C17H26N4O3/c1-19-11-7-18-14(19)15(22)20-8-3-4-17(5-9-20)6-10-21(16(17)23)12-13-24-2/h7,11H,3-6,8-10,12-13H2,1-2H3/t17-/m1/s1
InChIKeySHXWQNUIUWRGMJ-QGZVFWFLSA-N
MW334.42 g/mol
LogP0.91
Rot. Bonds4

About (5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one

(5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one (PubChem CID 124820106) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one.

Molecular Properties

Compound Name(5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
PubChem CID124820106
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESCOCCN1CC[C@]2(CCCN(C(=O)c3nccn3C)CC2)C1=O
InChIInChI=1S/C17H26N4O3/c1-19-11-7-18-14(19)15(22)20-8-3-4-17(5-9-20)6-10-21(16(17)23)12-13-24-2/h7,11H,3-6,8-10,12-13H2,1-2H3/t17-/m1/s1
InChIKeySHXWQNUIUWRGMJ-QGZVFWFLSA-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

Analyze (5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-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

2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 124814570
2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896660
9-(2-methoxyacetyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131652556
(5R)-2-(2-methoxyethyl)-9-(thiophene-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897395
(5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895269
(5S)-9-(furan-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896591
2-(2-methoxyethyl)-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449747
(5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895274
2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131691720
9-(2,5-difluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131690837
[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone
CID 131642632
2-(2-methoxyethyl)-9-(2-phenylacetyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131680101

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The IUPAC name of (5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one (CID 124820106) is (5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one.
What is the SMILES notation for (5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The canonical SMILES for (5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one is COCCN1CC[C@]2(CCCN(C(=O)c3nccn3C)CC2)C1=O.
What is the InChIKey of (5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The InChIKey is SHXWQNUIUWRGMJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-19-11-7-18-14(19)15(22)20-8-3-4-17(5-9-20)6-10-21(16(17)23)12-13-24-2/h7,11H,3-6,8-10,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
(5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-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 (5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one is sourced from PubChem (CID 124820106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).