1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide

C17H25N5O3 — CID 118744704

IUPAC1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESNC(=O)C1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1
InChIInChI=1S/C17H25N5O3/c18-14(23)13-11-22-10-7-19-15(22)17(25-13)5-8-21(9-6-17)16(24)20-12-3-1-2-4-12/h7,10,12-13H,1-6,8-9,11H2,(H2,18,23)(H,20,24)
InChIKeyVGLBRDAFGBDOJD-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.71
Rot. Bonds2

About 1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide

1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (PubChem CID 118744704) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.

Molecular Properties

Compound Name1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
PubChem CID118744704
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESNC(=O)C1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1
InChIInChI=1S/C17H25N5O3/c18-14(23)13-11-22-10-7-19-15(22)17(25-13)5-8-21(9-6-17)16(24)20-12-3-1-2-4-12/h7,10,12-13H,1-6,8-9,11H2,(H2,18,23)(H,20,24)
InChIKeyVGLBRDAFGBDOJD-UHFFFAOYSA-N
XLogP0.71
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The IUPAC name of 1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (CID 118744704) is 1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.
What is the SMILES notation for 1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The canonical SMILES for 1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is NC(=O)C1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1.
What is the InChIKey of 1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The InChIKey is VGLBRDAFGBDOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c18-14(23)13-11-22-10-7-19-15(22)17(25-13)5-8-21(9-6-17)16(24)20-12-3-1-2-4-12/h7,10,12-13H,1-6,8-9,11H2,(H2,18,23)(H,20,24).
What are the key properties of 1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide has a molecular weight of 347.42 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is sourced from PubChem (CID 118744704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).