1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide

C14H15Cl2N3O2S — CID 17385988

IUPAC1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=S)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H15Cl2N3O2S/c15-9-5-10(16)7-11(6-9)18-13(21)14(22)19-3-1-8(2-4-19)12(17)20/h5-8H,1-4H2,(H2,17,20)(H,18,21)
InChIKeyLWFNNRUVCFTRHM-UHFFFAOYSA-N
MW360.27 g/mol
LogP2.46
Rot. Bonds2

About 1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide

1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide (PubChem CID 17385988) has the molecular formula C14H15Cl2N3O2S and a molecular weight of 360.27 g/mol. Its IUPAC name is 1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide
PubChem CID17385988
Molecular FormulaC14H15Cl2N3O2S
Molecular Weight360.27 g/mol
Exact Mass359.03
IUPAC Name1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=S)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H15Cl2N3O2S/c15-9-5-10(16)7-11(6-9)18-13(21)14(22)19-3-1-8(2-4-19)12(17)20/h5-8H,1-4H2,(H2,17,20)(H,18,21)
InChIKeyLWFNNRUVCFTRHM-UHFFFAOYSA-N
XLogP2.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide
CID 44902219
N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336395
N-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47335591
(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 107654257
methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754243
1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide
CID 108530325
1-[(3,5-dimethoxyphenyl)carbamothioyl]piperidine-4-carboxamide
CID 800272
N-(3,5-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 113223015
1-[2-[(2R,4aS,8aS)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]piperidine-4-carboxamide
CID 94571451
1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide
CID 117008210
ethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531047
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide (CID 17385988) is 1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=S)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide?
The InChIKey is LWFNNRUVCFTRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2S/c15-9-5-10(16)7-11(6-9)18-13(21)14(22)19-3-1-8(2-4-19)12(17)20/h5-8H,1-4H2,(H2,17,20)(H,18,21).
What are the key properties of 1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide?
1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide has a molecular weight of 360.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide is sourced from PubChem (CID 17385988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).