(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(oxan-4-yl)methanone

C24H32N4O2 — CID 97361076

IUPAC(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(oxan-4-yl)methanone
SMILESCCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)C1CCOCC1)CC2
InChIInChI=1S/C24H32N4O2/c1-2-27-14-15-28-21(19-6-4-3-5-7-19)18-25-23(28)24(27)10-12-26(13-11-24)22(29)20-8-16-30-17-9-20/h3-7,18,20H,2,8-17H2,1H3
InChIKeyLZOLUQCGNBZQNO-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.13
Rot. Bonds3

About (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(oxan-4-yl)methanone

(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(oxan-4-yl)methanone (PubChem CID 97361076) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(oxan-4-yl)methanone
PubChem CID97361076
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(oxan-4-yl)methanone
SMILESCCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)C1CCOCC1)CC2
InChIInChI=1S/C24H32N4O2/c1-2-27-14-15-28-21(19-6-4-3-5-7-19)18-25-23(28)24(27)10-12-26(13-11-24)22(29)20-8-16-30-17-9-20/h3-7,18,20H,2,8-17H2,1H3
InChIKeyLZOLUQCGNBZQNO-UHFFFAOYSA-N
XLogP3.13
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97440535
1-(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methylpropan-1-one;2,2,2-trifluoroacetic acid
CID 155857877
7-ethyl-3-phenyl-1'-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97361061
7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97361055
7-ethyl-1'-[(1-methylpyrazol-4-yl)methyl]-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
CID 155845885
[7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(4-methoxyphenyl)methanone;2,2,2-trifluoroacetic acid
CID 155856979
[7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97440507
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97445987
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone
CID 165424336
7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
CID 118743304
oxan-4-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162633951

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(oxan-4-yl)methanone?
The IUPAC name of (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(oxan-4-yl)methanone (CID 97361076) is (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(oxan-4-yl)methanone is CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)C1CCOCC1)CC2.
What is the InChIKey of (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(oxan-4-yl)methanone?
The InChIKey is LZOLUQCGNBZQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-2-27-14-15-28-21(19-6-4-3-5-7-19)18-25-23(28)24(27)10-12-26(13-11-24)22(29)20-8-16-30-17-9-20/h3-7,18,20H,2,8-17H2,1H3.
What are the key properties of (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(oxan-4-yl)methanone?
(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(oxan-4-yl)methanone has a molecular weight of 408.55 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 97361076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).