N-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide

C24H26N2O4 — CID 108758056

IUPACN-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide
SMILESCc1ccc2c(c1C)OC1(CCN(C(=O)CNC(=O)c3ccccc3)CC1)CC2=O
InChIInChI=1S/C24H26N2O4/c1-16-8-9-19-20(27)14-24(30-22(19)17(16)2)10-12-26(13-11-24)21(28)15-25-23(29)18-6-4-3-5-7-18/h3-9H,10-15H2,1-2H3,(H,25,29)
InChIKeyIVAANBLCNPDVSB-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.06
Rot. Bonds3

About N-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide

N-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide (PubChem CID 108758056) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide
PubChem CID108758056
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide
SMILESCc1ccc2c(c1C)OC1(CCN(C(=O)CNC(=O)c3ccccc3)CC1)CC2=O
InChIInChI=1S/C24H26N2O4/c1-16-8-9-19-20(27)14-24(30-22(19)17(16)2)10-12-26(13-11-24)21(28)15-25-23(29)18-6-4-3-5-7-18/h3-9H,10-15H2,1-2H3,(H,25,29)
InChIKeyIVAANBLCNPDVSB-UHFFFAOYSA-N
XLogP3.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(2-chloroacetyl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734821
7,8-dimethyl-1'-(3-phenoxypropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734805
1'-(3-chloropropanoyl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758148
1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758122
N-ethyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108781837
N-[6-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-6-oxohexyl]benzamide
CID 108734929
7,8-dimethyl-1'-(4-naphthalen-2-yloxybutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758139
1-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione
CID 108734838
N-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 108781833
N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide
CID 90618254
1'-[4-(4-chlorophenoxy)butanoyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758144
1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726147

Frequently Asked Questions

What is the IUPAC name of N-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide (CID 108758056) is N-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide is Cc1ccc2c(c1C)OC1(CCN(C(=O)CNC(=O)c3ccccc3)CC1)CC2=O.
What is the InChIKey of N-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide?
The InChIKey is IVAANBLCNPDVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-16-8-9-19-20(27)14-24(30-22(19)17(16)2)10-12-26(13-11-24)21(28)15-25-23(29)18-6-4-3-5-7-18/h3-9H,10-15H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide?
N-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide has a molecular weight of 406.48 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 108758056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).