(6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C22H25ClN4O3 — CID 97440204

IUPAC(6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@@H]1Cn2ccnc2C2(CCN(C(=O)C3CCC3)CC2)O1
InChIInChI=1S/C22H25ClN4O3/c23-16-5-2-6-17(13-16)25-19(28)18-14-27-12-9-24-21(27)22(30-18)7-10-26(11-8-22)20(29)15-3-1-4-15/h2,5-6,9,12-13,15,18H,1,3-4,7-8,10-11,14H2,(H,25,28)/t18-/m0/s1
InChIKeyNYEINKSDTFUYNC-SFHVURJKSA-N
MW428.92 g/mol
LogP3.19
Rot. Bonds3

About (6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

(6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97440204) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is (6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID97440204
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name(6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@@H]1Cn2ccnc2C2(CCN(C(=O)C3CCC3)CC2)O1
InChIInChI=1S/C22H25ClN4O3/c23-16-5-2-6-17(13-16)25-19(28)18-14-27-12-9-24-21(27)22(30-18)7-10-26(11-8-22)20(29)15-3-1-4-15/h2,5-6,9,12-13,15,18H,1,3-4,7-8,10-11,14H2,(H,25,28)/t18-/m0/s1
InChIKeyNYEINKSDTFUYNC-SFHVURJKSA-N
XLogP3.19
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440199
1-N'-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 134076612
1-N'-cyclopentyl-6-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 134077149
(6S)-1'-(2-methylpropanoyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440127
N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 121229620
(6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440177
(6R)-N-methyl-1'-(oxane-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97385149
1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 134076605
1'-(3-methylbutanoyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 171705435
1'-cyclopropylsulfonyl-N-(3-methoxyphenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155858055
[1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone
CID 131650965
N-(2-methylpropyl)-1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131649874

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of (6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 97440204) is (6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for (6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for (6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is O=C(Nc1cccc(Cl)c1)[C@@H]1Cn2ccnc2C2(CCN(C(=O)C3CCC3)CC2)O1.
What is the InChIKey of (6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is NYEINKSDTFUYNC-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c23-16-5-2-6-17(13-16)25-19(28)18-14-27-12-9-24-21(27)22(30-18)7-10-26(11-8-22)20(29)15-3-1-4-15/h2,5-6,9,12-13,15,18H,1,3-4,7-8,10-11,14H2,(H,25,28)/t18-/m0/s1.
What are the key properties of (6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
(6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 428.92 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97440204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).