1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide

C17H20Cl2N2O2 — CID 78779450

IUPAC1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)C=Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H20Cl2N2O2/c1-20(2)17(23)12-8-10-21(11-9-12)16(22)7-6-13-14(18)4-3-5-15(13)19/h3-7,12H,8-11H2,1-2H3
InChIKeyFDMKYOFJNKVICW-UHFFFAOYSA-N
MW355.27 g/mol
LogP3.33
Rot. Bonds3

About 1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide

1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 78779450) has the molecular formula C17H20Cl2N2O2 and a molecular weight of 355.27 g/mol. Its IUPAC name is 1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID78779450
Molecular FormulaC17H20Cl2N2O2
Molecular Weight355.27 g/mol
Exact Mass354.09
IUPAC Name1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)C=Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H20Cl2N2O2/c1-20(2)17(23)12-8-10-21(11-9-12)16(22)7-6-13-14(18)4-3-5-15(13)19/h3-7,12H,8-11H2,1-2H3
InChIKeyFDMKYOFJNKVICW-UHFFFAOYSA-N
XLogP3.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.33
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

(E)-1-(4-benzoylpiperidin-1-yl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
CID 41309388
3-(2,6-dichlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one
CID 79028351
1-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 25478855
(Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 2169518
(E)-3-(2,6-dichlorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one
CID 17164954
3-(2-chloro-6-fluorophenyl)-1-[4-[3-(2-chloro-6-fluorophenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
CID 3433981
1-[3-(2,6-dichlorophenyl)prop-2-enoyl]azetidine-3-carboxylic acid
CID 77034589
1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 91943379
N,N-dimethyl-1-prop-2-enoylpiperidine-4-carboxamide
CID 60948651
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 75199924
1-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102775414
1-[3-(4-fluoro-2-nitrophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 103599105

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide (CID 78779450) is 1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(C(=O)C=Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is FDMKYOFJNKVICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2/c1-20(2)17(23)12-8-10-21(11-9-12)16(22)7-6-13-14(18)4-3-5-15(13)19/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 355.27 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 78779450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).