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

C14H16N2O4 — CID 68984003

IUPAC(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid
SMILESO=C(O)Nc1ccc2c(c1)C(=O)CC1(CCNCC1)O2
InChIInChI=1S/C14H16N2O4/c17-11-8-14(3-5-15-6-4-14)20-12-2-1-9(7-10(11)12)16-13(18)19/h1-2,7,15-16H,3-6,8H2,(H,18,19)
InChIKeyOGRCNPRWDHLZFO-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.86
Rot. Bonds1

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

(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid (PubChem CID 68984003) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid.

Molecular Properties

Compound Name(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid
PubChem CID68984003
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid
SMILESO=C(O)Nc1ccc2c(c1)C(=O)CC1(CCNCC1)O2
InChIInChI=1S/C14H16N2O4/c17-11-8-14(3-5-15-6-4-14)20-12-2-1-9(7-10(11)12)16-13(18)19/h1-2,7,15-16H,3-6,8H2,(H,18,19)
InChIKeyOGRCNPRWDHLZFO-UHFFFAOYSA-N
XLogP1.86
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride
CID 66781896
6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663303
6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69076705
6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663844
azane;6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 68979628
2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide
CID 87056586
spiro[3H-chromene-2,4'-azepane]-4-one
CID 59312111
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
6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 100760356
4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid
CID 66782544
6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 66649469

Frequently Asked Questions

What is the IUPAC name of (4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid?
The IUPAC name of (4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid (CID 68984003) is (4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid.
What is the SMILES notation for (4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid?
The canonical SMILES for (4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid is O=C(O)Nc1ccc2c(c1)C(=O)CC1(CCNCC1)O2.
What is the InChIKey of (4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid?
The InChIKey is OGRCNPRWDHLZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-11-8-14(3-5-15-6-4-14)20-12-2-1-9(7-10(11)12)16-13(18)19/h1-2,7,15-16H,3-6,8H2,(H,18,19).
What are the key properties of (4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid?
(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid has a molecular weight of 276.29 g/mol, XLogP of 1.86, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid is sourced from PubChem (CID 68984003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).