6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one

C15H19NO4 — CID 66524938

IUPAC6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cc2c(cc1OC)C(=O)CC1(CCNCC1)O2
InChIInChI=1S/C15H19NO4/c1-18-13-7-10-11(17)9-15(3-5-16-6-4-15)20-12(10)8-14(13)19-2/h7-8,16H,3-6,9H2,1-2H3
InChIKeyYZNGBJNAUHZZOM-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.79
Rot. Bonds2

About 6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one

6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 66524938) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID66524938
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cc2c(cc1OC)C(=O)CC1(CCNCC1)O2
InChIInChI=1S/C15H19NO4/c1-18-13-7-10-11(17)9-15(3-5-16-6-4-15)20-12(10)8-14(13)19-2/h7-8,16H,3-6,9H2,1-2H3
InChIKeyYZNGBJNAUHZZOM-UHFFFAOYSA-N
XLogP1.79
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4H-1-Benzopyran-4-one, 2,3-dihydro-6,7-dimethoxy-2,2-dimethyl-
CID 103373
6,7-Dimethoxy-2-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one
CID 141111802
3-[4-(1-Benzylpiperidin-4-yl)oxyphenyl]-6,7-dimethoxychromen-4-one
CID 44123701
1'-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44521957
1-Hydroxy-3-[2-hydroxy-3-(pentylamino)propoxy]-5-methoxyxanthen-9-one
CID 73352483
3-[3-(Butylamino)-2-hydroxypropoxy]-5-methoxy-1-[(4-methoxyphenyl)methoxy]xanthen-9-one
CID 134141801
3-[3-(Butylamino)-2-hydroxypropoxy]-5-methoxy-1-propan-2-yloxyxanthen-9-one
CID 134148064
3-[3-(Butylamino)-2-hydroxypropoxy]-5-methoxy-1-pentoxyxanthen-9-one
CID 134155244
5-Hydroxy-8-methoxy-2-phenyl-7-(4-piperazin-1-ylbutoxy)chromen-4-one
CID 137637335
2-(3,4-Dimethoxyphenyl)-7-[3-(4-methylpiperidin-1-yl)propoxy]chromen-4-one
CID 145965851
7-[3-(4-Methylpiperidin-1-yl)propoxy]-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 145977699
6,7-Dimethoxy-2-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydrochromen-4-one
CID 145994323

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one (CID 66524938) is 6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one is COc1cc2c(cc1OC)C(=O)CC1(CCNCC1)O2.
What is the InChIKey of 6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is YZNGBJNAUHZZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-18-13-7-10-11(17)9-15(3-5-16-6-4-15)20-12(10)8-14(13)19-2/h7-8,16H,3-6,9H2,1-2H3.
What are the key properties of 6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 277.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 66524938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).