(3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione

C14H15ClN2O2 — CID 118143425

IUPAC(3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione
SMILESCN(C)/C=C1/C(=O)CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C14H15ClN2O2/c1-16(2)9-10-13(18)7-8-17(14(10)19)12-6-4-3-5-11(12)15/h3-6,9H,7-8H2,1-2H3/b10-9-
InChIKeyMEMSBAWGDJXDQS-KTKRTIGZSA-N
MW278.74 g/mol
LogP2.09
Rot. Bonds2

About (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione

(3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione (PubChem CID 118143425) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione.

Molecular Properties

Compound Name(3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione
PubChem CID118143425
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name(3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione
SMILESCN(C)/C=C1/C(=O)CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C14H15ClN2O2/c1-16(2)9-10-13(18)7-8-17(14(10)19)12-6-4-3-5-11(12)15/h3-6,9H,7-8H2,1-2H3/b10-9-
InChIKeyMEMSBAWGDJXDQS-KTKRTIGZSA-N
XLogP2.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione?
The IUPAC name of (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione (CID 118143425) is (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione.
What is the SMILES notation for (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione?
The canonical SMILES for (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione is CN(C)/C=C1/C(=O)CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione?
The InChIKey is MEMSBAWGDJXDQS-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-16(2)9-10-13(18)7-8-17(14(10)19)12-6-4-3-5-11(12)15/h3-6,9H,7-8H2,1-2H3/b10-9-.
What are the key properties of (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione?
(3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione has a molecular weight of 278.74 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione is sourced from PubChem (CID 118143425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).