1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid

C18H23N3O3 — CID 91241746

IUPAC1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid
SMILESO=C(O)N1C=C2OC3(CCN(Cc4ccccc4)CC3)CN2CC1
InChIInChI=1S/C18H23N3O3/c22-17(23)20-10-11-21-14-18(24-16(21)13-20)6-8-19(9-7-18)12-15-4-2-1-3-5-15/h1-5,13H,6-12,14H2,(H,22,23)
InChIKeyCKAPFMDUNNBLRR-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.15
Rot. Bonds2

About 1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid

1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid (PubChem CID 91241746) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid.

Molecular Properties

Compound Name1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid
PubChem CID91241746
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid
SMILESO=C(O)N1C=C2OC3(CCN(Cc4ccccc4)CC3)CN2CC1
InChIInChI=1S/C18H23N3O3/c22-17(23)20-10-11-21-14-18(24-16(21)13-20)6-8-19(9-7-18)12-15-4-2-1-3-5-15/h1-5,13H,6-12,14H2,(H,22,23)
InChIKeyCKAPFMDUNNBLRR-UHFFFAOYSA-N
XLogP2.15
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid with MolForge

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Related Compounds

2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one
CID 165471452
2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
CID 23435681
[5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]oct-5-en-7-yl]-phenylmethanone
CID 139513922
8-benzyl-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;1-benzyl-4-hydroxypiperidine-4-carbonitrile
CID 91558624
8-benzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814236
(9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone
CID 73212667
9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332705
1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 130157727
3-benzyl-8-[[4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 11993277
1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride
CID 87592673
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid?
The IUPAC name of 1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid (CID 91241746) is 1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid.
What is the SMILES notation for 1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid?
The canonical SMILES for 1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid is O=C(O)N1C=C2OC3(CCN(Cc4ccccc4)CC3)CN2CC1.
What is the InChIKey of 1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid?
The InChIKey is CKAPFMDUNNBLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-17(23)20-10-11-21-14-18(24-16(21)13-20)6-8-19(9-7-18)12-15-4-2-1-3-5-15/h1-5,13H,6-12,14H2,(H,22,23).
What are the key properties of 1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid?
1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid is sourced from PubChem (CID 91241746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).