1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

C24H26BrNO4 — CID 108735051

IUPAC1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)C(C)Oc3ccc(Br)cc3)CC1)O2
InChIInChI=1S/C24H26BrNO4/c1-15-12-20-21(27)14-24(30-22(20)13-16(15)2)8-10-26(11-9-24)23(28)17(3)29-19-6-4-18(25)5-7-19/h4-7,12-13,17H,8-11,14H2,1-3H3
InChIKeyMYNAXBZMQVKBIP-UHFFFAOYSA-N
MW472.38 g/mol
LogP4.86
Rot. Bonds3

About 1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108735051) has the molecular formula C24H26BrNO4 and a molecular weight of 472.38 g/mol. Its IUPAC name is 1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108735051
Molecular FormulaC24H26BrNO4
Molecular Weight472.38 g/mol
Exact Mass471.10
IUPAC Name1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)C(C)Oc3ccc(Br)cc3)CC1)O2
InChIInChI=1S/C24H26BrNO4/c1-15-12-20-21(27)14-24(30-22(20)13-16(15)2)8-10-26(11-9-24)23(28)17(3)29-19-6-4-18(25)5-7-19/h4-7,12-13,17H,8-11,14H2,1-3H3
InChIKeyMYNAXBZMQVKBIP-UHFFFAOYSA-N
XLogP4.86
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[2-(4-bromophenoxy)propanoyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739965
5,7-dimethyl-1'-[2-(4-propan-2-ylphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762584
2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 80707640
7,8-dimethoxy-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108740057
2-(4-bromophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 46568654
6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735553
1'-[2-(2-methoxyethoxy)acetyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734952
1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757628
(2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 8587224
1'-[2-(4-chloro-3-methylphenoxy)acetyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758251
1'-[2-(4-bromophenyl)acetyl]-6-chloro-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735312
1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758159

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108735051) is 1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)C(C)Oc3ccc(Br)cc3)CC1)O2.
What is the InChIKey of 1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is MYNAXBZMQVKBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrNO4/c1-15-12-20-21(27)14-24(30-22(20)13-16(15)2)8-10-26(11-9-24)23(28)17(3)29-19-6-4-18(25)5-7-19/h4-7,12-13,17H,8-11,14H2,1-3H3.
What are the key properties of 1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 472.38 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108735051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).