N-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C20H31N7O2 — CID 131652146

IUPACN-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCN(C)CCNC(=O)C1Cn2ccnc2C2(CCN(Cc3nccn3C)CC2)O1
InChIInChI=1S/C20H31N7O2/c1-24(2)11-6-22-18(28)16-14-27-13-8-23-19(27)20(29-16)4-9-26(10-5-20)15-17-21-7-12-25(17)3/h7-8,12-13,16H,4-6,9-11,14-15H2,1-3H3,(H,22,28)
InChIKeyXHPLSQKFJCIFQE-UHFFFAOYSA-N
MW401.52 g/mol
LogP0.18
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

N-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 131652146) has the molecular formula C20H31N7O2 and a molecular weight of 401.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID131652146
Molecular FormulaC20H31N7O2
Molecular Weight401.52 g/mol
Exact Mass401.25
IUPAC NameN-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCN(C)CCNC(=O)C1Cn2ccnc2C2(CCN(Cc3nccn3C)CC2)O1
InChIInChI=1S/C20H31N7O2/c1-24(2)11-6-22-18(28)16-14-27-13-8-23-19(27)20(29-16)4-9-26(10-5-20)15-17-21-7-12-25(17)3/h7-8,12-13,16H,4-6,9-11,14-15H2,1-3H3,(H,22,28)
InChIKeyXHPLSQKFJCIFQE-UHFFFAOYSA-N
XLogP0.18
TPSA80.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide with MolForge

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Related Compounds

(6R)-N-[2-(dimethylamino)ethyl]-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97401299
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
[(6R)-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone
CID 97401296
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'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 134077189
1'-(2-fluoroethyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 118739812
N-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131649844
(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'-[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-methyl-1'-[(5-methylfuran-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131639215
1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 134077208
(6S)-N,N-diethyl-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360891

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 131652146) is N-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CN(C)CCNC(=O)C1Cn2ccnc2C2(CCN(Cc3nccn3C)CC2)O1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is XHPLSQKFJCIFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O2/c1-24(2)11-6-22-18(28)16-14-27-13-8-23-19(27)20(29-16)4-9-26(10-5-20)15-17-21-7-12-25(17)3/h7-8,12-13,16H,4-6,9-11,14-15H2,1-3H3,(H,22,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
N-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 401.52 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 131652146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).