1-N-[(2,4-dichlorophenyl)methyl]piperidine-1,4-dicarboxamide

C14H17Cl2N3O2 — CID 46224990

IUPAC1-N-[(2,4-dichlorophenyl)methyl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H17Cl2N3O2/c15-11-2-1-10(12(16)7-11)8-18-14(21)19-5-3-9(4-6-19)13(17)20/h1-2,7,9H,3-6,8H2,(H2,17,20)(H,18,21)
InChIKeyUUCMRBUYLOLCHH-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.40
Rot. Bonds3

About 1-N-[(2,4-dichlorophenyl)methyl]piperidine-1,4-dicarboxamide

1-N-[(2,4-dichlorophenyl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 46224990) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-N-[(2,4-dichlorophenyl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2,4-dichlorophenyl)methyl]piperidine-1,4-dicarboxamide
PubChem CID46224990
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name1-N-[(2,4-dichlorophenyl)methyl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H17Cl2N3O2/c15-11-2-1-10(12(16)7-11)8-18-14(21)19-5-3-9(4-6-19)13(17)20/h1-2,7,9H,3-6,8H2,(H2,17,20)(H,18,21)
InChIKeyUUCMRBUYLOLCHH-UHFFFAOYSA-N
XLogP2.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,4-dichlorophenyl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(2,4-dichlorophenyl)methyl]piperidine-1,4-dicarboxamide (CID 46224990) is 1-N-[(2,4-dichlorophenyl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(2,4-dichlorophenyl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(2,4-dichlorophenyl)methyl]piperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-N-[(2,4-dichlorophenyl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is UUCMRBUYLOLCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c15-11-2-1-10(12(16)7-11)8-18-14(21)19-5-3-9(4-6-19)13(17)20/h1-2,7,9H,3-6,8H2,(H2,17,20)(H,18,21).
What are the key properties of 1-N-[(2,4-dichlorophenyl)methyl]piperidine-1,4-dicarboxamide?
1-N-[(2,4-dichlorophenyl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 330.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,4-dichlorophenyl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 46224990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).