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

C18H27N5O3 — CID 118740816

IUPAC1-N'-cyclopentyl-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1
InChIInChI=1S/C18H27N5O3/c1-19-15(24)14-12-23-11-8-20-16(23)18(26-14)6-9-22(10-7-18)17(25)21-13-4-2-3-5-13/h8,11,13-14H,2-7,9-10,12H2,1H3,(H,19,24)(H,21,25)
InChIKeyZIXRGXKKESHTTA-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.97
Rot. Bonds2

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

1-N'-cyclopentyl-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (PubChem CID 118740816) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-N'-cyclopentyl-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.

Molecular Properties

Compound Name1-N'-cyclopentyl-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
PubChem CID118740816
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name1-N'-cyclopentyl-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1
InChIInChI=1S/C18H27N5O3/c1-19-15(24)14-12-23-11-8-20-16(23)18(26-14)6-9-22(10-7-18)17(25)21-13-4-2-3-5-13/h8,11,13-14H,2-7,9-10,12H2,1H3,(H,19,24)(H,21,25)
InChIKeyZIXRGXKKESHTTA-UHFFFAOYSA-N
XLogP0.97
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N'-cyclopentyl-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The IUPAC name of 1-N'-cyclopentyl-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (CID 118740816) is 1-N'-cyclopentyl-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.
What is the SMILES notation for 1-N'-cyclopentyl-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The canonical SMILES for 1-N'-cyclopentyl-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is CNC(=O)C1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1.
What is the InChIKey of 1-N'-cyclopentyl-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The InChIKey is ZIXRGXKKESHTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-19-15(24)14-12-23-11-8-20-16(23)18(26-14)6-9-22(10-7-18)17(25)21-13-4-2-3-5-13/h8,11,13-14H,2-7,9-10,12H2,1H3,(H,19,24)(H,21,25).
What are the key properties of 1-N'-cyclopentyl-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
1-N'-cyclopentyl-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide has a molecular weight of 361.45 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cyclopentyl-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is sourced from PubChem (CID 118740816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).