(2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone

C20H17Cl2NO — CID 25024516

IUPAC(2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C20H17Cl2NO/c21-17-7-3-5-15(18(17)22)19(24)23-12-10-20(11-13-23)9-8-14-4-1-2-6-16(14)20/h1-9H,10-13H2
InChIKeyZFOBQNVYTGSNAQ-UHFFFAOYSA-N
MW358.27 g/mol
LogP5.19
Rot. Bonds1

About (2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone

(2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone (PubChem CID 25024516) has the molecular formula C20H17Cl2NO and a molecular weight of 358.27 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
PubChem CID25024516
Molecular FormulaC20H17Cl2NO
Molecular Weight358.27 g/mol
Exact Mass357.07
IUPAC Name(2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C20H17Cl2NO/c21-17-7-3-5-15(18(17)22)19(24)23-12-10-20(11-13-23)9-8-14-4-1-2-6-16(14)20/h1-9H,10-13H2
InChIKeyZFOBQNVYTGSNAQ-UHFFFAOYSA-N
XLogP5.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.27
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
CID 44611733
(5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 25024712
[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 166368124
2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one
CID 21307058
(3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 72903177
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
(2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 86996550
3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323701
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 120806072
2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
CID 44611595
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 47070210

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone (CID 25024516) is (2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone is O=C(c1cccc(Cl)c1Cl)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of (2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
The InChIKey is ZFOBQNVYTGSNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO/c21-17-7-3-5-15(18(17)22)19(24)23-12-10-20(11-13-23)9-8-14-4-1-2-6-16(14)20/h1-9H,10-13H2.
What are the key properties of (2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
(2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone has a molecular weight of 358.27 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 25024516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).