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

C22H28FN5O3 — CID 155901500

IUPAC1-N'-[2-(4-fluorophenyl)ethyl]-6-N,6-N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESCN(C)C(=O)C1Cn2ccnc2C2(CCN(C(=O)NCCc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C22H28FN5O3/c1-26(2)19(29)18-15-28-14-11-24-20(28)22(31-18)8-12-27(13-9-22)21(30)25-10-7-16-3-5-17(23)6-4-16/h3-6,11,14,18H,7-10,12-13,15H2,1-2H3,(H,25,30)
InChIKeyFHKFZSJXZIGAKF-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.75
Rot. Bonds4

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

1-N'-[2-(4-fluorophenyl)ethyl]-6-N,6-N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (PubChem CID 155901500) has the molecular formula C22H28FN5O3 and a molecular weight of 429.50 g/mol. Its IUPAC name is 1-N'-[2-(4-fluorophenyl)ethyl]-6-N,6-N-dimethylspiro[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,6-N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
PubChem CID155901500
Molecular FormulaC22H28FN5O3
Molecular Weight429.50 g/mol
Exact Mass429.22
IUPAC Name1-N'-[2-(4-fluorophenyl)ethyl]-6-N,6-N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESCN(C)C(=O)C1Cn2ccnc2C2(CCN(C(=O)NCCc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C22H28FN5O3/c1-26(2)19(29)18-15-28-14-11-24-20(28)22(31-18)8-12-27(13-9-22)21(30)25-10-7-16-3-5-17(23)6-4-16/h3-6,11,14,18H,7-10,12-13,15H2,1-2H3,(H,25,30)
InChIKeyFHKFZSJXZIGAKF-UHFFFAOYSA-N
XLogP1.75
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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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,6-N-dimethylspiro[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,6-N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (CID 155901500) is 1-N'-[2-(4-fluorophenyl)ethyl]-6-N,6-N-dimethylspiro[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,6-N-dimethylspiro[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,6-N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is CN(C)C(=O)C1Cn2ccnc2C2(CCN(C(=O)NCCc3ccc(F)cc3)CC2)O1.
What is the InChIKey of 1-N'-[2-(4-fluorophenyl)ethyl]-6-N,6-N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The InChIKey is FHKFZSJXZIGAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O3/c1-26(2)19(29)18-15-28-14-11-24-20(28)22(31-18)8-12-27(13-9-22)21(30)25-10-7-16-3-5-17(23)6-4-16/h3-6,11,14,18H,7-10,12-13,15H2,1-2H3,(H,25,30).
What are the key properties of 1-N'-[2-(4-fluorophenyl)ethyl]-6-N,6-N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
1-N'-[2-(4-fluorophenyl)ethyl]-6-N,6-N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide has a molecular weight of 429.50 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 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,6-N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is sourced from PubChem (CID 155901500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).