1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C19H28N4O3 — CID 118743970

IUPAC1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(C(=O)CC3CCCC3)CC2)O1
InChIInChI=1S/C19H28N4O3/c1-20-17(25)15-13-23-11-8-21-18(23)19(26-15)6-9-22(10-7-19)16(24)12-14-4-2-3-5-14/h8,11,14-15H,2-7,9-10,12-13H2,1H3,(H,20,25)
InChIKeyOOGCRIGJNHHRJH-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.43
Rot. Bonds3

About 1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 118743970) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID118743970
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(C(=O)CC3CCCC3)CC2)O1
InChIInChI=1S/C19H28N4O3/c1-20-17(25)15-13-23-11-8-21-18(23)19(26-15)6-9-22(10-7-19)16(24)12-14-4-2-3-5-14/h8,11,14-15H,2-7,9-10,12-13H2,1H3,(H,20,25)
InChIKeyOOGCRIGJNHHRJH-UHFFFAOYSA-N
XLogP1.43
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of 1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 118743970) is 1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for 1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for 1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CNC(=O)C1Cn2ccnc2C2(CCN(C(=O)CC3CCCC3)CC2)O1.
What is the InChIKey of 1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is OOGCRIGJNHHRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-20-17(25)15-13-23-11-8-21-18(23)19(26-15)6-9-22(10-7-19)16(24)12-14-4-2-3-5-14/h8,11,14-15H,2-7,9-10,12-13H2,1H3,(H,20,25).
What are the key properties of 1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 118743970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).