4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide

C14H19Cl2N3O — CID 83242183

IUPAC4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-18(2)14(20)19-5-3-12(4-6-19)17-13-8-10(15)7-11(16)9-13/h7-9,12,17H,3-6H2,1-2H3
InChIKeyXCBASWSQZFQOKD-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.55
Rot. Bonds2

About 4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide

4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83242183) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83242183
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-18(2)14(20)19-5-3-12(4-6-19)17-13-8-10(15)7-11(16)9-13/h7-9,12,17H,3-6H2,1-2H3
InChIKeyXCBASWSQZFQOKD-UHFFFAOYSA-N
XLogP3.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide (CID 83242183) is 4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(Nc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is XCBASWSQZFQOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-18(2)14(20)19-5-3-12(4-6-19)17-13-8-10(15)7-11(16)9-13/h7-9,12,17H,3-6H2,1-2H3.
What are the key properties of 4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide?
4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 316.23 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83242183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).