(3Z)-1-(3-chlorophenyl)-3-(piperidin-1-ylmethylidene)indol-2-one

C20H19ClN2O — CID 14575197

IUPAC(3Z)-1-(3-chlorophenyl)-3-(piperidin-1-ylmethylidene)indol-2-one
SMILESO=C1/C(=C\N2CCCCC2)c2ccccc2N1c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O/c21-15-7-6-8-16(13-15)23-19-10-3-2-9-17(19)18(20(23)24)14-22-11-4-1-5-12-22/h2-3,6-10,13-14H,1,4-5,11-12H2/b18-14-
InChIKeyPEEIBFGKWVEZIN-JXAWBTAJSA-N
MW338.84 g/mol
LogP4.85
Rot. Bonds2

About (3Z)-1-(3-chlorophenyl)-3-(piperidin-1-ylmethylidene)indol-2-one

(3Z)-1-(3-chlorophenyl)-3-(piperidin-1-ylmethylidene)indol-2-one (PubChem CID 14575197) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is (3Z)-1-(3-chlorophenyl)-3-(piperidin-1-ylmethylidene)indol-2-one.

Molecular Properties

Compound Name(3Z)-1-(3-chlorophenyl)-3-(piperidin-1-ylmethylidene)indol-2-one
PubChem CID14575197
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name(3Z)-1-(3-chlorophenyl)-3-(piperidin-1-ylmethylidene)indol-2-one
SMILESO=C1/C(=C\N2CCCCC2)c2ccccc2N1c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O/c21-15-7-6-8-16(13-15)23-19-10-3-2-9-17(19)18(20(23)24)14-22-11-4-1-5-12-22/h2-3,6-10,13-14H,1,4-5,11-12H2/b18-14-
InChIKeyPEEIBFGKWVEZIN-JXAWBTAJSA-N
XLogP4.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-{4-[4-(4-chlorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 11524413
3-{4-[4-(4-Chlorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 11589069
3-{4-[4-(3-Chlorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 11653869
1-(4-(4-(4-Chlorophenyl)-1-piperazinyl)butyl)indolin-2-one
CID 23653176
3-{4-[4-(3-Chloro-4-fluorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 24853955
3-{4-[4-(3-Chloro-4-methylphenyl)-piperazin-1-yl]-butyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 24854037
3-{4-[4-(3-Chlorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-6-fluoro-1,3-dihydro-2H-indol-2-one
CID 24854041
3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one
CID 24854273
1-(1-Benzyl-piperidin-4-yl)-1,3-dihydro-indol-2-one
CID 3655995
3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,3-dimethyl-1,3-dihydro-indol-2-one
CID 9799491
3-Benzyl-1-(3,5-dichloro-phenyl)-3-methyl-1,3-dihydro-indol-2-one
CID 9800103
2-[1-(4-Chloro-benzyl)-piperidin-4-yl]-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 9800164

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(3-chlorophenyl)-3-(piperidin-1-ylmethylidene)indol-2-one?
The IUPAC name of (3Z)-1-(3-chlorophenyl)-3-(piperidin-1-ylmethylidene)indol-2-one (CID 14575197) is (3Z)-1-(3-chlorophenyl)-3-(piperidin-1-ylmethylidene)indol-2-one.
What is the SMILES notation for (3Z)-1-(3-chlorophenyl)-3-(piperidin-1-ylmethylidene)indol-2-one?
The canonical SMILES for (3Z)-1-(3-chlorophenyl)-3-(piperidin-1-ylmethylidene)indol-2-one is O=C1/C(=C\N2CCCCC2)c2ccccc2N1c1cccc(Cl)c1.
What is the InChIKey of (3Z)-1-(3-chlorophenyl)-3-(piperidin-1-ylmethylidene)indol-2-one?
The InChIKey is PEEIBFGKWVEZIN-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H19ClN2O/c21-15-7-6-8-16(13-15)23-19-10-3-2-9-17(19)18(20(23)24)14-22-11-4-1-5-12-22/h2-3,6-10,13-14H,1,4-5,11-12H2/b18-14-.
What are the key properties of (3Z)-1-(3-chlorophenyl)-3-(piperidin-1-ylmethylidene)indol-2-one?
(3Z)-1-(3-chlorophenyl)-3-(piperidin-1-ylmethylidene)indol-2-one has a molecular weight of 338.84 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-(3-chlorophenyl)-3-(piperidin-1-ylmethylidene)indol-2-one is sourced from PubChem (CID 14575197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).