propan-2-yl 4-(6-ethyl-1-oxa-2-azacyclohexa-2,4,5-trien-3-yl)piperidine-1-carboxylate

C15H22N2O3 — CID 143733231

IUPACpropan-2-yl 4-(6-ethyl-1-oxa-2-azacyclohexa-2,4,5-trien-3-yl)piperidine-1-carboxylate
SMILESCCC1=C=CC(C2CCN(C(=O)OC(C)C)CC2)=NO1
InChIInChI=1S/C15H22N2O3/c1-4-13-5-6-14(16-20-13)12-7-9-17(10-8-12)15(18)19-11(2)3/h6,11-12H,4,7-10H2,1-3H3
InChIKeyPBXLVLIUQSBAAH-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.08
Rot. Bonds3

About propan-2-yl 4-(6-ethyl-1-oxa-2-azacyclohexa-2,4,5-trien-3-yl)piperidine-1-carboxylate

propan-2-yl 4-(6-ethyl-1-oxa-2-azacyclohexa-2,4,5-trien-3-yl)piperidine-1-carboxylate (PubChem CID 143733231) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is propan-2-yl 4-(6-ethyl-1-oxa-2-azacyclohexa-2,4,5-trien-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(6-ethyl-1-oxa-2-azacyclohexa-2,4,5-trien-3-yl)piperidine-1-carboxylate
PubChem CID143733231
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namepropan-2-yl 4-(6-ethyl-1-oxa-2-azacyclohexa-2,4,5-trien-3-yl)piperidine-1-carboxylate
SMILESCCC1=C=CC(C2CCN(C(=O)OC(C)C)CC2)=NO1
InChIInChI=1S/C15H22N2O3/c1-4-13-5-6-14(16-20-13)12-7-9-17(10-8-12)15(18)19-11(2)3/h6,11-12H,4,7-10H2,1-3H3
InChIKeyPBXLVLIUQSBAAH-UHFFFAOYSA-N
XLogP3.08
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 4-(6-ethyl-1-oxa-2-azacyclohexa-2,4,5-trien-3-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

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CID 131988194
propan-2-yl 4-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]piperidine-1-carboxylate
CID 71263395
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ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate
CID 143188885
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propan-2-yl 4-[(E)-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]ethenyl]piperidine-1-carboxylate
CID 25254703
propan-2-yl 4-[2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]ethenyl]piperidine-1-carboxylate
CID 68731916
CID 89025808
CID 89025808

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(6-ethyl-1-oxa-2-azacyclohexa-2,4,5-trien-3-yl)piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-(6-ethyl-1-oxa-2-azacyclohexa-2,4,5-trien-3-yl)piperidine-1-carboxylate (CID 143733231) is propan-2-yl 4-(6-ethyl-1-oxa-2-azacyclohexa-2,4,5-trien-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-(6-ethyl-1-oxa-2-azacyclohexa-2,4,5-trien-3-yl)piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-(6-ethyl-1-oxa-2-azacyclohexa-2,4,5-trien-3-yl)piperidine-1-carboxylate is CCC1=C=CC(C2CCN(C(=O)OC(C)C)CC2)=NO1.
What is the InChIKey of propan-2-yl 4-(6-ethyl-1-oxa-2-azacyclohexa-2,4,5-trien-3-yl)piperidine-1-carboxylate?
The InChIKey is PBXLVLIUQSBAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-13-5-6-14(16-20-13)12-7-9-17(10-8-12)15(18)19-11(2)3/h6,11-12H,4,7-10H2,1-3H3.
What are the key properties of propan-2-yl 4-(6-ethyl-1-oxa-2-azacyclohexa-2,4,5-trien-3-yl)piperidine-1-carboxylate?
propan-2-yl 4-(6-ethyl-1-oxa-2-azacyclohexa-2,4,5-trien-3-yl)piperidine-1-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(6-ethyl-1-oxa-2-azacyclohexa-2,4,5-trien-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 143733231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).