(1'-benzylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-piperidin-1-ylmethanone

C23H30N4O2 — CID 155902631

IUPAC(1'-benzylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-piperidin-1-ylmethanone
SMILESO=C(C1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1)N1CCCCC1
InChIInChI=1S/C23H30N4O2/c28-21(26-12-5-2-6-13-26)20-18-27-16-11-24-22(27)23(29-20)9-14-25(15-10-23)17-19-7-3-1-4-8-19/h1,3-4,7-8,11,16,20H,2,5-6,9-10,12-15,17-18H2
InChIKeyJWWXSUWRZFHMGN-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.79
Rot. Bonds3

About (1'-benzylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-piperidin-1-ylmethanone

(1'-benzylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-piperidin-1-ylmethanone (PubChem CID 155902631) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is (1'-benzylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1'-benzylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-piperidin-1-ylmethanone
PubChem CID155902631
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name(1'-benzylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-piperidin-1-ylmethanone
SMILESO=C(C1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1)N1CCCCC1
InChIInChI=1S/C23H30N4O2/c28-21(26-12-5-2-6-13-26)20-18-27-16-11-24-22(27)23(29-20)9-14-25(15-10-23)17-19-7-3-1-4-8-19/h1,3-4,7-8,11,16,20H,2,5-6,9-10,12-15,17-18H2
InChIKeyJWWXSUWRZFHMGN-UHFFFAOYSA-N
XLogP2.79
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567605
(4aR,7aS)-4-[(1-methylimidazol-2-yl)methyl]-6-(3-phenylpropyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775142
(4aR,7aS)-6-[(3,4-difluorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775141
4-benzyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholine-3-carboxamide
CID 71877755
9-[(1-Methylimidazol-2-yl)methyl]-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97385652
9-[(1-Methylimidazol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451065
4-Benzyl-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451127
(4aR,7aR)-6-[(1-methylimidazol-2-yl)methyl]-4-[(3-methylphenyl)methyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97508908
1'-(Pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 118740817
1'-methyl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 118740907
N-methyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 118745365
N-methyl-1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 118747189

Frequently Asked Questions

What is the IUPAC name of (1'-benzylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1'-benzylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-piperidin-1-ylmethanone (CID 155902631) is (1'-benzylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1'-benzylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1'-benzylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-piperidin-1-ylmethanone is O=C(C1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1)N1CCCCC1.
What is the InChIKey of (1'-benzylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-piperidin-1-ylmethanone?
The InChIKey is JWWXSUWRZFHMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-21(26-12-5-2-6-13-26)20-18-27-16-11-24-22(27)23(29-20)9-14-25(15-10-23)17-19-7-3-1-4-8-19/h1,3-4,7-8,11,16,20H,2,5-6,9-10,12-15,17-18H2.
What are the key properties of (1'-benzylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-piperidin-1-ylmethanone?
(1'-benzylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-piperidin-1-ylmethanone has a molecular weight of 394.52 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1'-benzylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 155902631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).