1'-(3-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C20H18ClNO3 — CID 7260535

IUPAC1'-(3-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cccc(Cl)c3)CC2)Oc2ccccc21
InChIInChI=1S/C20H18ClNO3/c21-15-5-3-4-14(12-15)19(24)22-10-8-20(9-11-22)13-17(23)16-6-1-2-7-18(16)25-20/h1-7,12H,8-11,13H2
InChIKeyHMWZPWCIQGFIMG-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.98
Rot. Bonds1

About 1'-(3-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(3-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260535) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 1'-(3-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(3-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260535
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name1'-(3-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cccc(Cl)c3)CC2)Oc2ccccc21
InChIInChI=1S/C20H18ClNO3/c21-15-5-3-4-14(12-15)19(24)22-10-8-20(9-11-22)13-17(23)16-6-1-2-7-18(16)25-20/h1-7,12H,8-11,13H2
InChIKeyHMWZPWCIQGFIMG-UHFFFAOYSA-N
XLogP3.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-(3-chlorobenzoyl)spiro[3H-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

1'-Benzylspiro[chroman-2,4'-piperidin]-4-one
CID 2427316
Spiro[chroman-2,4'-piperidin]-1'-yl(4-(trifluoromethyl)phenyl)methanone
CID 44583353
2-[2-[[1-(3-Chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl]methylamino]ethoxy]benzamide
CID 132247303
2-{4-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl}-4h-Chromen-4-One
CID 46742375
Spiro-chromanone scaffold, 1
CID 44143287
2-(3-Chloro-phenyl)-2,3-dihydro-benzo[e][1,3]oxazin-4-one
CID 6489064
1'-(3-Fluorobenzoyl)spiro[chroman-2,4'-piperidin]-4-one
CID 7260532
1'-(3,4-Difluorobenzoyl)spiro[chroman-2,4'-piperidin]-4-one
CID 7260543
N-[(4-chlorophenyl)methyl]-2-phenoxybenzamide
CID 797976
(4-Chlorophenyl)-[9-[(2-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 11273324
N,N-Diethyl-4-(1''-methylspiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 11452117
(E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
CID 44253359

Frequently Asked Questions

What is the IUPAC name of 1'-(3-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(3-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260535) is 1'-(3-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(3-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(3-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)c3cccc(Cl)c3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(3-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is HMWZPWCIQGFIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c21-15-5-3-4-14(12-15)19(24)22-10-8-20(9-11-22)13-17(23)16-6-1-2-7-18(16)25-20/h1-7,12H,8-11,13H2.
What are the key properties of 1'-(3-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(3-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 355.82 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).