6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C24H27NO3 — CID 108734745

IUPAC6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(C)c2c(c1)C(=O)CC1(CCN(C(=O)CCc3ccccc3)CC1)O2
InChIInChI=1S/C24H27NO3/c1-17-14-18(2)23-20(15-17)21(26)16-24(28-23)10-12-25(13-11-24)22(27)9-8-19-6-4-3-5-7-19/h3-7,14-15H,8-13,16H2,1-2H3
InChIKeyZIYAPJFWMOOZGZ-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.26
Rot. Bonds3

About 6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108734745) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108734745
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(C)c2c(c1)C(=O)CC1(CCN(C(=O)CCc3ccccc3)CC1)O2
InChIInChI=1S/C24H27NO3/c1-17-14-18(2)23-20(15-17)21(26)16-24(28-23)10-12-25(13-11-24)22(27)9-8-19-6-4-3-5-7-19/h3-7,14-15H,8-13,16H2,1-2H3
InChIKeyZIYAPJFWMOOZGZ-UHFFFAOYSA-N
XLogP4.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-7-methyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735333
1-(6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione
CID 108726194
1'-[2-(2-methoxyethoxy)acetyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734649
1'-[2-(1-adamantyl)acetyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757934
1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726147
1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734528
1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734656
N-[3-(6,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 108758014
1'-[3-(3,4-dimethylphenyl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586185
7,8-dimethyl-1'-(3-phenoxypropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734805
6-chloro-8-methyl-1'-(4-naphthalen-2-yloxybutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750353
1'-(3-chloropropanoyl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758148

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108734745) is 6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc(C)c2c(c1)C(=O)CC1(CCN(C(=O)CCc3ccccc3)CC1)O2.
What is the InChIKey of 6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is ZIYAPJFWMOOZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-17-14-18(2)23-20(15-17)21(26)16-24(28-23)10-12-25(13-11-24)22(27)9-8-19-6-4-3-5-7-19/h3-7,14-15H,8-13,16H2,1-2H3.
What are the key properties of 6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 377.48 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108734745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).