2-(2-methoxyethyl)-9-[(1-propylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C19H32N4O2 — CID 70705226

IUPAC2-(2-methoxyethyl)-9-[(1-propylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCn1ccnc1CN1CCC2(CCC(=O)N(CCOC)C2)CC1
InChIInChI=1S/C19H32N4O2/c1-3-9-22-12-8-20-17(22)15-21-10-6-19(7-11-21)5-4-18(24)23(16-19)13-14-25-2/h8,12H,3-7,9-11,13-16H2,1-2H3
InChIKeyQOKBHBYIFLACHA-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.14
Rot. Bonds7

About 2-(2-methoxyethyl)-9-[(1-propylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-9-[(1-propylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70705226) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-[(1-propylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-[(1-propylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70705226
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name2-(2-methoxyethyl)-9-[(1-propylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCn1ccnc1CN1CCC2(CCC(=O)N(CCOC)C2)CC1
InChIInChI=1S/C19H32N4O2/c1-3-9-22-12-8-20-17(22)15-21-10-6-19(7-11-21)5-4-18(24)23(16-19)13-14-25-2/h8,12H,3-7,9-11,13-16H2,1-2H3
InChIKeyQOKBHBYIFLACHA-UHFFFAOYSA-N
XLogP2.14
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-[(1-propylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-9-[(1-propylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70705226) is 2-(2-methoxyethyl)-9-[(1-propylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-[(1-propylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-[(1-propylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is CCCn1ccnc1CN1CCC2(CCC(=O)N(CCOC)C2)CC1.
What is the InChIKey of 2-(2-methoxyethyl)-9-[(1-propylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QOKBHBYIFLACHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-3-9-22-12-8-20-17(22)15-21-10-6-19(7-11-21)5-4-18(24)23(16-19)13-14-25-2/h8,12H,3-7,9-11,13-16H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-9-[(1-propylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-9-[(1-propylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 348.49 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-[(1-propylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70705226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).