(6R)-1-N'-(3-methoxyphenyl)-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide

C23H31N5O4 — CID 97440291

IUPAC(6R)-1-N'-(3-methoxyphenyl)-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCC3(CC2)O[C@@H](C(=O)NCC(C)C)Cn2ccnc23)c1
InChIInChI=1S/C23H31N5O4/c1-16(2)14-25-20(29)19-15-28-12-9-24-21(28)23(32-19)7-10-27(11-8-23)22(30)26-17-5-4-6-18(13-17)31-3/h4-6,9,12-13,16,19H,7-8,10-11,14-15H2,1-3H3,(H,25,29)(H,26,30)/t19-/m1/s1
InChIKeyPSUPELYXTHNYSF-LJQANCHMSA-N
MW441.53 g/mol
LogP2.59
Rot. Bonds5

About (6R)-1-N'-(3-methoxyphenyl)-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide

(6R)-1-N'-(3-methoxyphenyl)-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (PubChem CID 97440291) has the molecular formula C23H31N5O4 and a molecular weight of 441.53 g/mol. Its IUPAC name is (6R)-1-N'-(3-methoxyphenyl)-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.

Molecular Properties

Compound Name(6R)-1-N'-(3-methoxyphenyl)-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
PubChem CID97440291
Molecular FormulaC23H31N5O4
Molecular Weight441.53 g/mol
Exact Mass441.24
IUPAC Name(6R)-1-N'-(3-methoxyphenyl)-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCC3(CC2)O[C@@H](C(=O)NCC(C)C)Cn2ccnc23)c1
InChIInChI=1S/C23H31N5O4/c1-16(2)14-25-20(29)19-15-28-12-9-24-21(28)23(32-19)7-10-27(11-8-23)22(30)26-17-5-4-6-18(13-17)31-3/h4-6,9,12-13,16,19H,7-8,10-11,14-15H2,1-3H3,(H,25,29)(H,26,30)/t19-/m1/s1
InChIKeyPSUPELYXTHNYSF-LJQANCHMSA-N
XLogP2.59
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131649874
1-N',1-N'-dimethyl-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 133136205
1-N'-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 134076612
(6R)-N-[(3-methoxyphenyl)methyl]-1'-(1-methylpyrrole-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360683
1'-cyclopropylsulfonyl-N-(3-methoxyphenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155858055
(6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360741
(6S)-1'-(1-methylindole-3-carbonyl)-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440284
(6S)-1'-(2-methylpropanoyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440127
(6S)-N-[(4-methoxyphenyl)methyl]-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360746
(6R)-N-(2-methylpropyl)-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360794
1-N'-cyclopentyl-6-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 134077149
1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 134076605

Frequently Asked Questions

What is the IUPAC name of (6R)-1-N'-(3-methoxyphenyl)-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The IUPAC name of (6R)-1-N'-(3-methoxyphenyl)-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (CID 97440291) is (6R)-1-N'-(3-methoxyphenyl)-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.
What is the SMILES notation for (6R)-1-N'-(3-methoxyphenyl)-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The canonical SMILES for (6R)-1-N'-(3-methoxyphenyl)-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is COc1cccc(NC(=O)N2CCC3(CC2)O[C@@H](C(=O)NCC(C)C)Cn2ccnc23)c1.
What is the InChIKey of (6R)-1-N'-(3-methoxyphenyl)-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The InChIKey is PSUPELYXTHNYSF-LJQANCHMSA-N. The full InChI is InChI=1S/C23H31N5O4/c1-16(2)14-25-20(29)19-15-28-12-9-24-21(28)23(32-19)7-10-27(11-8-23)22(30)26-17-5-4-6-18(13-17)31-3/h4-6,9,12-13,16,19H,7-8,10-11,14-15H2,1-3H3,(H,25,29)(H,26,30)/t19-/m1/s1.
What are the key properties of (6R)-1-N'-(3-methoxyphenyl)-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
(6R)-1-N'-(3-methoxyphenyl)-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide has a molecular weight of 441.53 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-N'-(3-methoxyphenyl)-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is sourced from PubChem (CID 97440291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).