1-N'-[2-(4-fluorophenyl)ethyl]-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide

C21H26FN5O3 — CID 131654024

IUPAC1-N'-[2-(4-fluorophenyl)ethyl]-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(C(=O)NCCc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C21H26FN5O3/c1-23-18(28)17-14-27-13-10-24-19(27)21(30-17)7-11-26(12-8-21)20(29)25-9-6-15-2-4-16(22)5-3-15/h2-5,10,13,17H,6-9,11-12,14H2,1H3,(H,23,28)(H,25,29)
InChIKeySOXSEBIUEWVAFA-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.41
Rot. Bonds4

About 1-N'-[2-(4-fluorophenyl)ethyl]-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide

1-N'-[2-(4-fluorophenyl)ethyl]-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (PubChem CID 131654024) has the molecular formula C21H26FN5O3 and a molecular weight of 415.47 g/mol. Its IUPAC name is 1-N'-[2-(4-fluorophenyl)ethyl]-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.

Molecular Properties

Compound Name1-N'-[2-(4-fluorophenyl)ethyl]-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
PubChem CID131654024
Molecular FormulaC21H26FN5O3
Molecular Weight415.47 g/mol
Exact Mass415.20
IUPAC Name1-N'-[2-(4-fluorophenyl)ethyl]-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(C(=O)NCCc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C21H26FN5O3/c1-23-18(28)17-14-27-13-10-24-19(27)21(30-17)7-11-26(12-8-21)20(29)25-9-6-15-2-4-16(22)5-3-15/h2-5,10,13,17H,6-9,11-12,14H2,1H3,(H,23,28)(H,25,29)
InChIKeySOXSEBIUEWVAFA-UHFFFAOYSA-N
XLogP1.41
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide
CID 4876358
(4aR,7aS)-4-[(4-fluorophenyl)methyl]-6-(1H-imidazol-2-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775061
(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
N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide
CID 75367225
1-[4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone
CID 75367509
1-[4-[[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone
CID 75367604
4-Benzyl-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451127
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'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 118747189
N-methyl-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 118747254
(4aR,7aS)-4-benzyl-6-(1H-imidazol-2-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56774993

Frequently Asked Questions

What is the IUPAC name of 1-N'-[2-(4-fluorophenyl)ethyl]-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The IUPAC name of 1-N'-[2-(4-fluorophenyl)ethyl]-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (CID 131654024) is 1-N'-[2-(4-fluorophenyl)ethyl]-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.
What is the SMILES notation for 1-N'-[2-(4-fluorophenyl)ethyl]-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The canonical SMILES for 1-N'-[2-(4-fluorophenyl)ethyl]-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is CNC(=O)C1Cn2ccnc2C2(CCN(C(=O)NCCc3ccc(F)cc3)CC2)O1.
What is the InChIKey of 1-N'-[2-(4-fluorophenyl)ethyl]-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The InChIKey is SOXSEBIUEWVAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O3/c1-23-18(28)17-14-27-13-10-24-19(27)21(30-17)7-11-26(12-8-21)20(29)25-9-6-15-2-4-16(22)5-3-15/h2-5,10,13,17H,6-9,11-12,14H2,1H3,(H,23,28)(H,25,29).
What are the key properties of 1-N'-[2-(4-fluorophenyl)ethyl]-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
1-N'-[2-(4-fluorophenyl)ethyl]-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide has a molecular weight of 415.47 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-(4-fluorophenyl)ethyl]-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is sourced from PubChem (CID 131654024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).