1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one

C20H22N2O3 — CID 136554118

IUPAC1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one
SMILESCn1ccc(C(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1=O
InChIInChI=1S/C20H22N2O3/c1-21-11-7-16(14-18(21)23)19(24)22-12-9-20(10-13-22)8-6-15-4-2-3-5-17(15)25-20/h2-5,7,11,14H,6,8-10,12-13H2,1H3
InChIKeyHBTYJPYUWKWBGX-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.39
Rot. Bonds1

About 1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one

1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one (PubChem CID 136554118) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one
PubChem CID136554118
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one
SMILESCn1ccc(C(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1=O
InChIInChI=1S/C20H22N2O3/c1-21-11-7-16(14-18(21)23)19(24)22-12-9-20(10-13-22)8-6-15-4-2-3-5-17(15)25-20/h2-5,7,11,14H,6,8-10,12-13H2,1H3
InChIKeyHBTYJPYUWKWBGX-UHFFFAOYSA-N
XLogP2.39
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565592
(3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565605
(4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565595
spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 90565729
(2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565621
4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one
CID 166245056
4-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)-1-methylpyridin-2-one
CID 107300658
2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione
CID 146126774
1-methyl-4-[4-(methylamino)piperidine-1-carbonyl]pyridin-2-one
CID 113263745
[5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565526
[5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 71801252
1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 18700230

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one?
The IUPAC name of 1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one (CID 136554118) is 1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one?
The canonical SMILES for 1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one is Cn1ccc(C(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1=O.
What is the InChIKey of 1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one?
The InChIKey is HBTYJPYUWKWBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-21-11-7-16(14-18(21)23)19(24)22-12-9-20(10-13-22)8-6-15-4-2-3-5-17(15)25-20/h2-5,7,11,14H,6,8-10,12-13H2,1H3.
What are the key properties of 1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one?
1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one is sourced from PubChem (CID 136554118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).