9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane

C15H26N4O2 — CID 97396280

IUPAC9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCOCCN1CCOCC12CCN(Cc1cnc[nH]1)CC2
InChIInChI=1S/C15H26N4O2/c1-20-8-6-19-7-9-21-12-15(19)2-4-18(5-3-15)11-14-10-16-13-17-14/h10,13H,2-9,11-12H2,1H3,(H,16,17)
InChIKeyXFESZNPZYKGUCW-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.72
Rot. Bonds5

About 9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane

9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97396280) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97396280
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCOCCN1CCOCC12CCN(Cc1cnc[nH]1)CC2
InChIInChI=1S/C15H26N4O2/c1-20-8-6-19-7-9-21-12-15(19)2-4-18(5-3-15)11-14-10-16-13-17-14/h10,13H,2-9,11-12H2,1H3,(H,16,17)
InChIKeyXFESZNPZYKGUCW-UHFFFAOYSA-N
XLogP0.72
TPSA53.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine
CID 71694291
1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396293
(2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine
CID 31016417
4-({1-[(4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinyl}methyl)morpholine
CID 70716922
1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118746221
1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 119109776
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine
CID 164637986
4-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-9-(1H-imidazol-5-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 171359864
2-fluoro-N-[(1H-imidazol-4-yl)methyl]oxan-3-amine
CID 126857094
2-[9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]-N-methylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 155835570
(3R*,4R*)-1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-(4-methyl-1-piperazinyl)-3-piperidinol
CID 28955437
(3'R*,4'R*)-1'-[(2-butyl-1H-imidazol-4-yl)methyl]-1,4'-bipiperidine-3',4-diol
CID 42512052

Frequently Asked Questions

What is the IUPAC name of 9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97396280) is 9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane is COCCN1CCOCC12CCN(Cc1cnc[nH]1)CC2.
What is the InChIKey of 9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is XFESZNPZYKGUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-20-8-6-19-7-9-21-12-15(19)2-4-18(5-3-15)11-14-10-16-13-17-14/h10,13H,2-9,11-12H2,1H3,(H,16,17).
What are the key properties of 9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 294.40 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97396280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).