1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one

C25H27NO3 — CID 100760986

IUPAC1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)Cc3ccccc3)CC2)Oc2cc3c(cc21)CCCC3
InChIInChI=1S/C25H27NO3/c27-22-17-25(29-23-16-20-9-5-4-8-19(20)15-21(22)23)10-12-26(13-11-25)24(28)14-18-6-2-1-3-7-18/h1-3,6-7,15-16H,4-5,8-14,17H2
InChIKeyNQJIQWVAOROWLQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.13
Rot. Bonds2

About 1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one

1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one (PubChem CID 100760986) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one
PubChem CID100760986
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)Cc3ccccc3)CC2)Oc2cc3c(cc21)CCCC3
InChIInChI=1S/C25H27NO3/c27-22-17-25(29-23-16-20-9-5-4-8-19(20)15-21(22)23)10-12-26(13-11-25)24(28)14-18-6-2-1-3-7-18/h1-3,6-7,15-16H,4-5,8-14,17H2
InChIKeyNQJIQWVAOROWLQ-UHFFFAOYSA-N
XLogP4.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762645
1'-[2-(4-bromophenyl)acetyl]-6-chloro-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735312
1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one
CID 164691259
1'-[2-(3,4-dimethoxyphenyl)acetyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734966
1'-[2-(4-bromophenyl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735714
6-chloro-7-methyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735333
1'-[2-(4-bromophenyl)acetyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739938
6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734745
6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735520
2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone
CID 90565660
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
1'-[2-(4-fluorophenyl)acetyl]-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750385

Frequently Asked Questions

What is the IUPAC name of 1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one (CID 100760986) is 1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)Cc3ccccc3)CC2)Oc2cc3c(cc21)CCCC3.
What is the InChIKey of 1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one?
The InChIKey is NQJIQWVAOROWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c27-22-17-25(29-23-16-20-9-5-4-8-19(20)15-21(22)23)10-12-26(13-11-25)24(28)14-18-6-2-1-3-7-18/h1-3,6-7,15-16H,4-5,8-14,17H2.
What are the key properties of 1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one?
1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one has a molecular weight of 389.50 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 100760986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).