3,7-dimethyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]

C18H30N4O — CID 97361034

IUPAC3,7-dimethyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
SMILESCc1cnc2n1CCN(C)C21CCN(CC2CCOCC2)CC1
InChIInChI=1S/C18H30N4O/c1-15-13-19-17-18(20(2)9-10-22(15)17)5-7-21(8-6-18)14-16-3-11-23-12-4-16/h13,16H,3-12,14H2,1-2H3
InChIKeyREMPJOZPDQEJKQ-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.85
Rot. Bonds2

About 3,7-dimethyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]

3,7-dimethyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] (PubChem CID 97361034) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 3,7-dimethyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine].

Molecular Properties

Compound Name3,7-dimethyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
PubChem CID97361034
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name3,7-dimethyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
SMILESCc1cnc2n1CCN(C)C21CCN(CC2CCOCC2)CC1
InChIInChI=1S/C18H30N4O/c1-15-13-19-17-18(20(2)9-10-22(15)17)5-7-21(8-6-18)14-16-3-11-23-12-4-16/h13,16H,3-12,14H2,1-2H3
InChIKeyREMPJOZPDQEJKQ-UHFFFAOYSA-N
XLogP1.85
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,7-dimethyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] with MolForge

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Related Compounds

5-methyl-2-[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 110114372
(3S)-3-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371170
4-(oxan-4-ylmethyl)morpholine
CID 122244931
1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495778
2-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 164698243
2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 165432124
N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 138562182
4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carbothioamide
CID 107161634
(5R,9R)-N-(5-methylpyrimidin-2-yl)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97477347
1-[1'-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155858153
2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine
CID 110102930
4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 110103697

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
The IUPAC name of 3,7-dimethyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] (CID 97361034) is 3,7-dimethyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine].
What is the SMILES notation for 3,7-dimethyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
The canonical SMILES for 3,7-dimethyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] is Cc1cnc2n1CCN(C)C21CCN(CC2CCOCC2)CC1.
What is the InChIKey of 3,7-dimethyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
The InChIKey is REMPJOZPDQEJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-15-13-19-17-18(20(2)9-10-22(15)17)5-7-21(8-6-18)14-16-3-11-23-12-4-16/h13,16H,3-12,14H2,1-2H3.
What are the key properties of 3,7-dimethyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
3,7-dimethyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] has a molecular weight of 318.47 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] is sourced from PubChem (CID 97361034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).