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

C18H20ClN5O3 — CID 134076612

IUPAC1-N'-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESNC(=O)C1Cn2ccnc2C2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)O1
InChIInChI=1S/C18H20ClN5O3/c19-12-2-1-3-13(10-12)22-17(26)23-7-4-18(5-8-23)16-21-6-9-24(16)11-14(27-18)15(20)25/h1-3,6,9-10,14H,4-5,7-8,11H2,(H2,20,25)(H,22,26)
InChIKeyPPHDZTTVAINPKC-UHFFFAOYSA-N
MW389.84 g/mol
LogP1.94
Rot. Bonds2

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

1-N'-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (PubChem CID 134076612) has the molecular formula C18H20ClN5O3 and a molecular weight of 389.84 g/mol. Its IUPAC name is 1-N'-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
PubChem CID134076612
Molecular FormulaC18H20ClN5O3
Molecular Weight389.84 g/mol
Exact Mass389.13
IUPAC Name1-N'-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESNC(=O)C1Cn2ccnc2C2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)O1
InChIInChI=1S/C18H20ClN5O3/c19-12-2-1-3-13(10-12)22-17(26)23-7-4-18(5-8-23)16-21-6-9-24(16)11-14(27-18)15(20)25/h1-3,6,9-10,14H,4-5,7-8,11H2,(H2,20,25)(H,22,26)
InChIKeyPPHDZTTVAINPKC-UHFFFAOYSA-N
XLogP1.94
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440204
(6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440199
(6R)-1-N'-(3-methoxyphenyl)-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 97440291
1-N'-cyclopentyl-6-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 134077149
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
(6S)-1'-(2-methylpropanoyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440127
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
(6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440177
N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 121229620
4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23071803
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide
CID 121178780

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The IUPAC name of 1-N'-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (CID 134076612) is 1-N'-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.
What is the SMILES notation for 1-N'-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The canonical SMILES for 1-N'-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is NC(=O)C1Cn2ccnc2C2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)O1.
What is the InChIKey of 1-N'-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The InChIKey is PPHDZTTVAINPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O3/c19-12-2-1-3-13(10-12)22-17(26)23-7-4-18(5-8-23)16-21-6-9-24(16)11-14(27-18)15(20)25/h1-3,6,9-10,14H,4-5,7-8,11H2,(H2,20,25)(H,22,26).
What are the key properties of 1-N'-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
1-N'-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide has a molecular weight of 389.84 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is sourced from PubChem (CID 134076612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).