(6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C17H19ClN4O2 — CID 97440177

IUPAC(6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@H]1Cn2ccnc2C2(CCNCC2)O1
InChIInChI=1S/C17H19ClN4O2/c18-12-1-3-13(4-2-12)21-15(23)14-11-22-10-9-20-16(22)17(24-14)5-7-19-8-6-17/h1-4,9-10,14,19H,5-8,11H2,(H,21,23)/t14-/m1/s1
InChIKeyIFROFEATIAIDCH-CQSZACIVSA-N
MW346.82 g/mol
LogP2.15
Rot. Bonds2

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

(6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97440177) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is (6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID97440177
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name(6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@H]1Cn2ccnc2C2(CCNCC2)O1
InChIInChI=1S/C17H19ClN4O2/c18-12-1-3-13(4-2-12)21-15(23)14-11-22-10-9-20-16(22)17(24-14)5-7-19-8-6-17/h1-4,9-10,14,19H,5-8,11H2,(H,21,23)/t14-/m1/s1
InChIKeyIFROFEATIAIDCH-CQSZACIVSA-N
XLogP2.15
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of (6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 97440177) is (6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for (6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for (6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is O=C(Nc1ccc(Cl)cc1)[C@H]1Cn2ccnc2C2(CCNCC2)O1.
What is the InChIKey of (6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is IFROFEATIAIDCH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-12-1-3-13(4-2-12)21-15(23)14-11-22-10-9-20-16(22)17(24-14)5-7-19-8-6-17/h1-4,9-10,14,19H,5-8,11H2,(H,21,23)/t14-/m1/s1.
What are the key properties of (6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
(6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97440177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).