N-[(Z)-1-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2,2-dimethylpropanamide

C19H24Cl2N2O2 — CID 18860071

IUPACN-[(Z)-1-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C19H24Cl2N2O2/c1-19(2,3)18(25)22-16(17(24)23-10-5-4-6-11-23)12-13-14(20)8-7-9-15(13)21/h7-9,12H,4-6,10-11H2,1-3H3,(H,22,25)/b16-12-
InChIKeyPCHJBLUFBRPTDV-VBKFSLOCSA-N
MW383.32 g/mol
LogP4.51
Rot. Bonds3

About N-[(Z)-1-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2,2-dimethylpropanamide

N-[(Z)-1-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2,2-dimethylpropanamide (PubChem CID 18860071) has the molecular formula C19H24Cl2N2O2 and a molecular weight of 383.32 g/mol. Its IUPAC name is N-[(Z)-1-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2,2-dimethylpropanamide
PubChem CID18860071
Molecular FormulaC19H24Cl2N2O2
Molecular Weight383.32 g/mol
Exact Mass382.12
IUPAC NameN-[(Z)-1-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C19H24Cl2N2O2/c1-19(2,3)18(25)22-16(17(24)23-10-5-4-6-11-23)12-13-14(20)8-7-9-15(13)21/h7-9,12H,4-6,10-11H2,1-3H3,(H,22,25)/b16-12-
InChIKeyPCHJBLUFBRPTDV-VBKFSLOCSA-N
XLogP4.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(Z)-1-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2,2-dimethylpropanamide (CID 18860071) is N-[(Z)-1-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(Z)-1-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(Z)-1-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CCCCC1.
What is the InChIKey of N-[(Z)-1-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2,2-dimethylpropanamide?
The InChIKey is PCHJBLUFBRPTDV-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H24Cl2N2O2/c1-19(2,3)18(25)22-16(17(24)23-10-5-4-6-11-23)12-13-14(20)8-7-9-15(13)21/h7-9,12H,4-6,10-11H2,1-3H3,(H,22,25)/b16-12-.
What are the key properties of N-[(Z)-1-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2,2-dimethylpropanamide?
N-[(Z)-1-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2,2-dimethylpropanamide has a molecular weight of 383.32 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18860071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).