(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-(4-methylpiperidin-1-yl)butan-1-one

C17H22Cl2N2O2 — CID 44622627

IUPAC(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-(4-methylpiperidin-1-yl)butan-1-one
SMILESCO/N=C(/CCC(=O)N1CCC(C)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H22Cl2N2O2/c1-12-7-9-21(10-8-12)17(22)6-5-16(20-23-2)13-3-4-14(18)15(19)11-13/h3-4,11-12H,5-10H2,1-2H3/b20-16-
InChIKeySNODUBOSTOJMJC-SILNSSARSA-N
MW357.28 g/mol
LogP4.38
Rot. Bonds5

About (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-(4-methylpiperidin-1-yl)butan-1-one

(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-(4-methylpiperidin-1-yl)butan-1-one (PubChem CID 44622627) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-(4-methylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-(4-methylpiperidin-1-yl)butan-1-one
PubChem CID44622627
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC Name(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-(4-methylpiperidin-1-yl)butan-1-one
SMILESCO/N=C(/CCC(=O)N1CCC(C)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H22Cl2N2O2/c1-12-7-9-21(10-8-12)17(22)6-5-16(20-23-2)13-3-4-14(18)15(19)11-13/h3-4,11-12H,5-10H2,1-2H3/b20-16-
InChIKeySNODUBOSTOJMJC-SILNSSARSA-N
XLogP4.38
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-(4-methylpiperidin-1-yl)butan-1-one?
The IUPAC name of (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-(4-methylpiperidin-1-yl)butan-1-one (CID 44622627) is (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-(4-methylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-(4-methylpiperidin-1-yl)butan-1-one?
The canonical SMILES for (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-(4-methylpiperidin-1-yl)butan-1-one is CO/N=C(/CCC(=O)N1CCC(C)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-(4-methylpiperidin-1-yl)butan-1-one?
The InChIKey is SNODUBOSTOJMJC-SILNSSARSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-12-7-9-21(10-8-12)17(22)6-5-16(20-23-2)13-3-4-14(18)15(19)11-13/h3-4,11-12H,5-10H2,1-2H3/b20-16-.
What are the key properties of (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-(4-methylpiperidin-1-yl)butan-1-one?
(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-(4-methylpiperidin-1-yl)butan-1-one has a molecular weight of 357.28 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-(4-methylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 44622627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).