N-[2-(6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide

C17H19BrN2O4 — CID 44769760

IUPACN-[2-(6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC2(CC1)CC(=O)c1cc(Br)ccc1O2
InChIInChI=1S/C17H19BrN2O4/c1-11(21)19-10-16(23)20-6-4-17(5-7-20)9-14(22)13-8-12(18)2-3-15(13)24-17/h2-3,8H,4-7,9-10H2,1H3,(H,19,21)
InChIKeyGAVNAYUEGYORKV-UHFFFAOYSA-N
MW395.25 g/mol
LogP1.91
Rot. Bonds2

About N-[2-(6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide

N-[2-(6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide (PubChem CID 44769760) has the molecular formula C17H19BrN2O4 and a molecular weight of 395.25 g/mol. Its IUPAC name is N-[2-(6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide
PubChem CID44769760
Molecular FormulaC17H19BrN2O4
Molecular Weight395.25 g/mol
Exact Mass394.05
IUPAC NameN-[2-(6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC2(CC1)CC(=O)c1cc(Br)ccc1O2
InChIInChI=1S/C17H19BrN2O4/c1-11(21)19-10-16(23)20-6-4-17(5-7-20)9-14(22)13-8-12(18)2-3-15(13)24-17/h2-3,8H,4-7,9-10H2,1H3,(H,19,21)
InChIKeyGAVNAYUEGYORKV-UHFFFAOYSA-N
XLogP1.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-2-methoxy-benzamide
CID 11315257
ethyl (4S)-6-bromo-4-[(2-methoxybenzoyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 137386135
ethyl (4S)-6-bromo-4-[(2-hydroxybenzoyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 137386143
1'-(3-Bromobenzoyl)spiro[chroman-2,4'-piperidin]-4-one
CID 7260538
2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 44525327
4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 45489156
tert-Butyl 6-bromo-4-oxo-3,4-dihydro-1'H-spiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxylate
CID 2794762
6-Bromospiro[chroman-2,4'-piperidin]-4-one
CID 2794778
6-bromo-1'-(2-oxoimidazolidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770122
6,8-dibromo-1'-(oxolane-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770342
6-bromo-1'-(3-methoxy-4-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 172435179
1'-Butyrylspiro[chroman-2,4'-piperidin]-4-one
CID 7260497

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-[2-(6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide (CID 44769760) is N-[2-(6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-(6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-(6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC2(CC1)CC(=O)c1cc(Br)ccc1O2.
What is the InChIKey of N-[2-(6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide?
The InChIKey is GAVNAYUEGYORKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4/c1-11(21)19-10-16(23)20-6-4-17(5-7-20)9-14(22)13-8-12(18)2-3-15(13)24-17/h2-3,8H,4-7,9-10H2,1H3,(H,19,21).
What are the key properties of N-[2-(6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide?
N-[2-(6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide has a molecular weight of 395.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 44769760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).