1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide

C17H22Cl2N2O2 — CID 42695501

IUPAC1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H22Cl2N2O2/c1-3-20(4-2)16(22)12-6-5-9-21(11-12)17(23)14-8-7-13(18)10-15(14)19/h7-8,10,12H,3-6,9,11H2,1-2H3
InChIKeyBRDFNERDMDWLAS-UHFFFAOYSA-N
MW357.28 g/mol
LogP3.71
Rot. Bonds4

About 1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide

1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide (PubChem CID 42695501) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is 1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide
PubChem CID42695501
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC Name1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H22Cl2N2O2/c1-3-20(4-2)16(22)12-6-5-9-21(11-12)17(23)14-8-7-13(18)10-15(14)19/h7-8,10,12H,3-6,9,11H2,1-2H3
InChIKeyBRDFNERDMDWLAS-UHFFFAOYSA-N
XLogP3.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3S)-1-(2,4-dichlorobenzoyl)piperidine-3-carboxylate
CID 78919345
(3S)-1-[(2,4-dichlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 762813
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126
[1-(2,4-dichlorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51326639
N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 156584269
(2,4-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 55209548
(3R)-1-[1-[(4-chlorophenyl)methyl]triazole-4-carbonyl]-N,N-diethylpiperidine-3-carboxamide
CID 42288735
[3-(4-chlorophenyl)azepan-1-yl]-(2,4-dichlorophenyl)methanone
CID 121146499
1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide
CID 3785342
(2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 7064237
1-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-N,N-diethylpiperidine-3-carboxamide
CID 77087302
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide (CID 42695501) is 1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is BRDFNERDMDWLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-3-20(4-2)16(22)12-6-5-9-21(11-12)17(23)14-8-7-13(18)10-15(14)19/h7-8,10,12H,3-6,9,11H2,1-2H3.
What are the key properties of 1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide?
1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 357.28 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 42695501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).