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

C20H18ClNO3 — CID 7260534

IUPAC1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3ccccc3Cl)CC2)Oc2ccccc21
InChIInChI=1S/C20H18ClNO3/c21-16-7-3-1-5-14(16)19(24)22-11-9-20(10-12-22)13-17(23)15-6-2-4-8-18(15)25-20/h1-8H,9-13H2
InChIKeyIRLKSRLQRSWKAZ-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.98
Rot. Bonds1

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

1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260534) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260534
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3ccccc3Cl)CC2)Oc2ccccc21
InChIInChI=1S/C20H18ClNO3/c21-16-7-3-1-5-14(16)19(24)22-11-9-20(10-12-22)13-17(23)15-6-2-4-8-18(15)25-20/h1-8H,9-13H2
InChIKeyIRLKSRLQRSWKAZ-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'-(2-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

Frequently Asked Questions

What is the IUPAC name of 1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260534) is 1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)c3ccccc3Cl)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is IRLKSRLQRSWKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c21-16-7-3-1-5-14(16)19(24)22-11-9-20(10-12-22)13-17(23)15-6-2-4-8-18(15)25-20/h1-8H,9-13H2.
What are the key properties of 1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2-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'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).