(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C15H19Cl2N3O2 — CID 94161112

IUPAC(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2N3O2/c1-19(2)15(22)20-7-3-4-10(9-20)14(21)18-11-5-6-12(16)13(17)8-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,21)/t10-/m1/s1
InChIKeyOLNXRVDNMHFLPD-SNVBAGLBSA-N
MW344.24 g/mol
LogP3.33
Rot. Bonds2

About (3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 94161112) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is (3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID94161112
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2N3O2/c1-19(2)15(22)20-7-3-4-10(9-20)14(21)18-11-5-6-12(16)13(17)8-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,21)/t10-/m1/s1
InChIKeyOLNXRVDNMHFLPD-SNVBAGLBSA-N
XLogP3.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 94161112) is (3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is OLNXRVDNMHFLPD-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-19(2)15(22)20-7-3-4-10(9-20)14(21)18-11-5-6-12(16)13(17)8-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,21)/t10-/m1/s1.
What are the key properties of (3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 344.24 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 94161112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).