(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

C25H29N5O4 — CID 97360683

IUPAC(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
SMILESCOc1cccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)c4cccn4C)CC3)O2)c1
InChIInChI=1S/C25H29N5O4/c1-28-11-4-7-20(28)23(32)29-12-8-25(9-13-29)24-26-10-14-30(24)17-21(34-25)22(31)27-16-18-5-3-6-19(15-18)33-2/h3-7,10-11,14-15,21H,8-9,12-13,16-17H2,1-2H3,(H,27,31)/t21-/m1/s1
InChIKeyMKWYWPRFDROIMB-OAQYLSRUSA-N
MW463.54 g/mol
LogP2.08
Rot. Bonds5

About (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

(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 (PubChem CID 97360683) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97360683
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name(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
SMILESCOc1cccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)c4cccn4C)CC3)O2)c1
InChIInChI=1S/C25H29N5O4/c1-28-11-4-7-20(28)23(32)29-12-8-25(9-13-29)24-26-10-14-30(24)17-21(34-25)22(31)27-16-18-5-3-6-19(15-18)33-2/h3-7,10-11,14-15,21H,8-9,12-13,16-17H2,1-2H3,(H,27,31)/t21-/m1/s1
InChIKeyMKWYWPRFDROIMB-OAQYLSRUSA-N
XLogP2.08
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(6R)-N-[(3-methoxyphenyl)methyl]-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360658
(6R)-1'-(furan-2-carbonyl)-N-[(4-methoxyphenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360732
(6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360739
(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
N-[(3-methoxyphenyl)methyl]-1'-[(5-methylfuran-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155829424
(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
1'-[(4-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 134077220
1'-[(3-cyanophenyl)methyl]-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131638793
(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
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'-[2-(dimethylamino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131658245
N-[2-(dimethylamino)ethyl]-1'-[(3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131638824

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)c4cccn4C)CC3)O2)c1.
What is the InChIKey of (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?
The InChIKey is MKWYWPRFDROIMB-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-28-11-4-7-20(28)23(32)29-12-8-25(9-13-29)24-26-10-14-30(24)17-21(34-25)22(31)27-16-18-5-3-6-19(15-18)33-2/h3-7,10-11,14-15,21H,8-9,12-13,16-17H2,1-2H3,(H,27,31)/t21-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 463.54 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97360683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).