(E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one

C20H19ClN2O2 — CID 166307470

IUPAC(E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)N1CCC2(CC1)OCc1ccncc12
InChIInChI=1S/C20H19ClN2O2/c21-17-4-1-15(2-5-17)3-6-19(24)23-11-8-20(9-12-23)18-13-22-10-7-16(18)14-25-20/h1-7,10,13H,8-9,11-12,14H2/b6-3+
InChIKeyKYJLESBRWCJQOP-ZZXKWVIFSA-N
MW354.84 g/mol
LogP3.80
Rot. Bonds2

About (E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one

(E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one (PubChem CID 166307470) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one
PubChem CID166307470
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name(E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)N1CCC2(CC1)OCc1ccncc12
InChIInChI=1S/C20H19ClN2O2/c21-17-4-1-15(2-5-17)3-6-19(24)23-11-8-20(9-12-23)18-13-22-10-7-16(18)14-25-20/h1-7,10,13H,8-9,11-12,14H2/b6-3+
InChIKeyKYJLESBRWCJQOP-ZZXKWVIFSA-N
XLogP3.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)prop-2-en-1-one
CID 35370579
N-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide
CID 90350183
1-[3-(4-chlorophenyl)prop-2-enoyl]-4-methylpiperidine-4-carboxylic acid
CID 76982988
3-amino-1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 107322916
(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one
CID 90350161
1-[3-(4-chlorophenyl)prop-2-enoyl]piperidin-4-one
CID 54478992
(E)-3-(4-chlorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one
CID 17164822
(E)-3-(3,4-dichlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)prop-2-en-1-one
CID 35370705
3-(1,3-benzothiazol-2-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one
CID 123472255
3-(4-chlorophenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 809689
(E)-3-(4-chlorophenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 122336477
4-[3-(4-chlorophenyl)prop-2-enoyl]piperazine-2,6-dione
CID 77111374

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one (CID 166307470) is (E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one is O=C(/C=C/c1ccc(Cl)cc1)N1CCC2(CC1)OCc1ccncc12.
What is the InChIKey of (E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one?
The InChIKey is KYJLESBRWCJQOP-ZZXKWVIFSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-17-4-1-15(2-5-17)3-6-19(24)23-11-8-20(9-12-23)18-13-22-10-7-16(18)14-25-20/h1-7,10,13H,8-9,11-12,14H2/b6-3+.
What are the key properties of (E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one?
(E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one has a molecular weight of 354.84 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one is sourced from PubChem (CID 166307470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).