(6R)-N,N-diethyl-1'-(thiophene-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C20H26N4O3S — CID 97360912

IUPAC(6R)-N,N-diethyl-1'-(thiophene-3-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)c3ccsc3)CC2)O1
InChIInChI=1S/C20H26N4O3S/c1-3-22(4-2)18(26)16-13-24-11-8-21-19(24)20(27-16)6-9-23(10-7-20)17(25)15-5-12-28-14-15/h5,8,11-12,14,16H,3-4,6-7,9-10,13H2,1-2H3/t16-/m1/s1
InChIKeyUETLFLOCUDGMHY-MRXNPFEDSA-N
MW402.52 g/mol
LogP2.34
Rot. Bonds4

About (6R)-N,N-diethyl-1'-(thiophene-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

(6R)-N,N-diethyl-1'-(thiophene-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97360912) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is (6R)-N,N-diethyl-1'-(thiophene-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name(6R)-N,N-diethyl-1'-(thiophene-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID97360912
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name(6R)-N,N-diethyl-1'-(thiophene-3-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)c3ccsc3)CC2)O1
InChIInChI=1S/C20H26N4O3S/c1-3-22(4-2)18(26)16-13-24-11-8-21-19(24)20(27-16)6-9-23(10-7-20)17(25)15-5-12-28-14-15/h5,8,11-12,14,16H,3-4,6-7,9-10,13H2,1-2H3/t16-/m1/s1
InChIKeyUETLFLOCUDGMHY-MRXNPFEDSA-N
XLogP2.34
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(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
(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
(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
(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'-(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
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
(6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440425
(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
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
[1'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone
CID 155870660

Frequently Asked Questions

What is the IUPAC name of (6R)-N,N-diethyl-1'-(thiophene-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of (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) is (6R)-N,N-diethyl-1'-(thiophene-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for (6R)-N,N-diethyl-1'-(thiophene-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for (6R)-N,N-diethyl-1'-(thiophene-3-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)c3ccsc3)CC2)O1.
What is the InChIKey of (6R)-N,N-diethyl-1'-(thiophene-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is UETLFLOCUDGMHY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-3-22(4-2)18(26)16-13-24-11-8-21-19(24)20(27-16)6-9-23(10-7-20)17(25)15-5-12-28-14-15/h5,8,11-12,14,16H,3-4,6-7,9-10,13H2,1-2H3/t16-/m1/s1.
What are the key properties of (6R)-N,N-diethyl-1'-(thiophene-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
(6R)-N,N-diethyl-1'-(thiophene-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N,N-diethyl-1'-(thiophene-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97360912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).