methyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride

C15H19ClN2O4 — CID 66781896

IUPACmethyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride
SMILESCN(C(=O)O)c1ccc2c(c1)C(=O)CC1(CCNCC1)O2.Cl
InChIInChI=1S/C15H18N2O4.ClH/c1-17(14(19)20)10-2-3-13-11(8-10)12(18)9-15(21-13)4-6-16-7-5-15;/h2-3,8,16H,4-7,9H2,1H3,(H,19,20);1H
InChIKeyOXAYQAJIVOMQCT-UHFFFAOYSA-N
MW326.78 g/mol
LogP2.31
Rot. Bonds1

About methyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride

methyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride (PubChem CID 66781896) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is methyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride.

Molecular Properties

Compound Namemethyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride
PubChem CID66781896
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Namemethyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride
SMILESCN(C(=O)O)c1ccc2c(c1)C(=O)CC1(CCNCC1)O2.Cl
InChIInChI=1S/C15H18N2O4.ClH/c1-17(14(19)20)10-2-3-13-11(8-10)12(18)9-15(21-13)4-6-16-7-5-15;/h2-3,8,16H,4-7,9H2,1H3,(H,19,20);1H
InChIKeyOXAYQAJIVOMQCT-UHFFFAOYSA-N
XLogP2.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride?
The IUPAC name of methyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride (CID 66781896) is methyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride.
What is the SMILES notation for methyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride?
The canonical SMILES for methyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride is CN(C(=O)O)c1ccc2c(c1)C(=O)CC1(CCNCC1)O2.Cl.
What is the InChIKey of methyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride?
The InChIKey is OXAYQAJIVOMQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4.ClH/c1-17(14(19)20)10-2-3-13-11(8-10)12(18)9-15(21-13)4-6-16-7-5-15;/h2-3,8,16H,4-7,9H2,1H3,(H,19,20);1H.
What are the key properties of methyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride?
methyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride has a molecular weight of 326.78 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride is sourced from PubChem (CID 66781896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).