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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Related Compounds

6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663303
(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid
CID 68984003
6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663844
6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69076705
azane;6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 68979628
6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 66524938
6-(1,1-dioxo-1,3-thiazolidin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 143724659
spiro[3H-chromene-2,4'-azepane]-4-one
CID 59312111
4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid
CID 66782544
6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 82045683
6-cyano-N,N-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 100760519
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525

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).