2-(2-methoxyethyl)-8-[(1-propylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C19H32N4O2 — CID 70726488

IUPAC2-(2-methoxyethyl)-8-[(1-propylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCn1ccnc1CN1CCCC2(CCC(=O)N(CCOC)C2)C1
InChIInChI=1S/C19H32N4O2/c1-3-9-22-11-8-20-17(22)14-21-10-4-6-19(15-21)7-5-18(24)23(16-19)12-13-25-2/h8,11H,3-7,9-10,12-16H2,1-2H3
InChIKeyHTXZZIASODJUGM-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.14
Rot. Bonds7

About 2-(2-methoxyethyl)-8-[(1-propylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-8-[(1-propylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70726488) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-[(1-propylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-[(1-propylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70726488
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name2-(2-methoxyethyl)-8-[(1-propylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCn1ccnc1CN1CCCC2(CCC(=O)N(CCOC)C2)C1
InChIInChI=1S/C19H32N4O2/c1-3-9-22-11-8-20-17(22)14-21-10-4-6-19(15-21)7-5-18(24)23(16-19)12-13-25-2/h8,11H,3-7,9-10,12-16H2,1-2H3
InChIKeyHTXZZIASODJUGM-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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Related Compounds

1-(methoxyacetyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine-3-carboxamide
CID 50966365
2-(cyclopropylmethyl)-9-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70707169
2-ethyl-9-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70777392
8-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 72871968
1-[(1-isopropyl-4-piperidinyl)acetyl]-4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine
CID 72880762
2-(Cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72890498
2-[3-(Dimethylamino)pyrazin-2-YL]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72905062
2-isopropyl-9-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72940511
2-[3-(1H-imidazol-1-yl)propyl]-9-(3-morpholinylacetyl)-2,9-diazaspiro[5.5]undecan-3-one dihydrochloride
CID 72837357
(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
2-allyl-9-[3-(2-methyl-1H-imidazol-1-yl)butanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72858082

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-[(1-propylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-8-[(1-propylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70726488) is 2-(2-methoxyethyl)-8-[(1-propylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-8-[(1-propylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-8-[(1-propylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is CCCn1ccnc1CN1CCCC2(CCC(=O)N(CCOC)C2)C1.
What is the InChIKey of 2-(2-methoxyethyl)-8-[(1-propylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is HTXZZIASODJUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-3-9-22-11-8-20-17(22)14-21-10-4-6-19(15-21)7-5-18(24)23(16-19)12-13-25-2/h8,11H,3-7,9-10,12-16H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-8-[(1-propylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-8-[(1-propylimidazol-2-yl)methyl]-2,8-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)-8-[(1-propylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70726488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).