1-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide

C13H15Cl2N3O2 — CID 788048

IUPAC1-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H15Cl2N3O2/c14-10-2-1-9(7-11(10)15)17-13(20)18-5-3-8(4-6-18)12(16)19/h1-2,7-8H,3-6H2,(H2,16,19)(H,17,20)
InChIKeyAJBSMUQOCSPILE-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.72
Rot. Bonds2

About 1-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide

1-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide (PubChem CID 788048) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 1-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide
PubChem CID788048
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name1-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H15Cl2N3O2/c14-10-2-1-9(7-11(10)15)17-13(20)18-5-3-8(4-6-18)12(16)19/h1-2,7-8H,3-6H2,(H2,16,19)(H,17,20)
InChIKeyAJBSMUQOCSPILE-UHFFFAOYSA-N
XLogP2.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide (CID 788048) is 1-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide?
The InChIKey is AJBSMUQOCSPILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c14-10-2-1-9(7-11(10)15)17-13(20)18-5-3-8(4-6-18)12(16)19/h1-2,7-8H,3-6H2,(H2,16,19)(H,17,20).
What are the key properties of 1-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide?
1-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide has a molecular weight of 316.19 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 788048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).