(6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C20H26N6O3 — CID 97360915

IUPAC(6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3cnccn3)CC2)O1
InChIInChI=1S/C20H26N6O3/c1-3-24(4-2)18(28)16-14-26-12-9-23-19(26)20(29-16)5-10-25(11-6-20)17(27)15-13-21-7-8-22-15/h7-9,12-13,16H,3-6,10-11,14H2,1-2H3/t16-/m0/s1
InChIKeyKVALNBTUIJYAGF-INIZCTEOSA-N
MW398.47 g/mol
LogP1.07
Rot. Bonds4

About (6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

(6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97360915) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is (6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name(6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID97360915
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name(6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3cnccn3)CC2)O1
InChIInChI=1S/C20H26N6O3/c1-3-24(4-2)18(28)16-14-26-12-9-23-19(26)20(29-16)5-10-25(11-6-20)17(27)15-13-21-7-8-22-15/h7-9,12-13,16H,3-6,10-11,14H2,1-2H3/t16-/m0/s1
InChIKeyKVALNBTUIJYAGF-INIZCTEOSA-N
XLogP1.07
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360919
(6R)-N,N-diethyl-1'-(thiophene-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360912
(6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360923
N,N-diethyl-1'-(5-fluoropyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131656579
(6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360741
(6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440436
(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
N,N-diethyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155837859
(6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440425
(6R)-N,N-diethyl-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360886
N-(2-methylpropyl)-1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131649874
(6R)-N,N-diethyl-1'-(3-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440417

Frequently Asked Questions

What is the IUPAC name of (6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of (6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 97360915) is (6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for (6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for (6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3cnccn3)CC2)O1.
What is the InChIKey of (6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is KVALNBTUIJYAGF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-3-24(4-2)18(28)16-14-26-12-9-23-19(26)20(29-16)5-10-25(11-6-20)17(27)15-13-21-7-8-22-15/h7-9,12-13,16H,3-6,10-11,14H2,1-2H3/t16-/m0/s1.
What are the key properties of (6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
(6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97360915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).