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

C21H20ClNO4 — CID 7260594

IUPAC1'-[2-(4-chlorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)COc3ccc(Cl)cc3)CC2)Oc2ccccc21
InChIInChI=1S/C21H20ClNO4/c22-15-5-7-16(8-6-15)26-14-20(25)23-11-9-21(10-12-23)13-18(24)17-3-1-2-4-19(17)27-21/h1-8H,9-14H2
InChIKeyRHNMEQSEAQKLCB-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.75
Rot. Bonds3

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

1'-[2-(4-chlorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260594) has the molecular formula C21H20ClNO4 and a molecular weight of 385.85 g/mol. Its IUPAC name is 1'-[2-(4-chlorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[2-(4-chlorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260594
Molecular FormulaC21H20ClNO4
Molecular Weight385.85 g/mol
Exact Mass385.11
IUPAC Name1'-[2-(4-chlorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)COc3ccc(Cl)cc3)CC2)Oc2ccccc21
InChIInChI=1S/C21H20ClNO4/c22-15-5-7-16(8-6-15)26-14-20(25)23-11-9-21(10-12-23)13-18(24)17-3-1-2-4-19(17)27-21/h1-8H,9-14H2
InChIKeyRHNMEQSEAQKLCB-UHFFFAOYSA-N
XLogP3.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[2-(4-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260606
2-[4-(4-Chlorobenzoyl)phenoxy]-1-morpholin-4-ylethanone
CID 2527180
6-(2-morpholin-4-yl-2-oxoethoxy)spiro[chromene-2,1'-cyclohexan]-4(3H)-one
CID 3243855
1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[chromene-2,4'-piperidin]-4(3H)-one
CID 3245072
1'-(3-Chlorobenzoyl)spiro[chroman-2,4'-piperidin]-4-one
CID 7260535
1'-(2-Chloro-6-fluorobenzoyl)-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-one
CID 7260549
1'-acetyl-6-[2-(4-ethyl-1-piperazinyl)-2-oxoethoxy]-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]one
CID 9551115
2-Chloro-7-(6-piperidin-1-ylhexoxy)xanthen-9-one
CID 155806244
2-Chloro-7-(5-piperidin-1-ylpentoxy)xanthen-9-one
CID 155817149
2-Chloro-7-[6-(4-methylpiperidin-1-yl)hexoxy]xanthen-9-one
CID 162665460
2-Chloro-7-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one
CID 162670535
(2-Morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate
CID 2433973

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-chlorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[2-(4-chlorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260594) is 1'-[2-(4-chlorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[2-(4-chlorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[2-(4-chlorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)COc3ccc(Cl)cc3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-[2-(4-chlorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is RHNMEQSEAQKLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO4/c22-15-5-7-16(8-6-15)26-14-20(25)23-11-9-21(10-12-23)13-18(24)17-3-1-2-4-19(17)27-21/h1-8H,9-14H2.
What are the key properties of 1'-[2-(4-chlorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[2-(4-chlorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 385.85 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-chlorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).