4-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C16H22ClN3O2 — CID 3235965

IUPAC4-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O2/c1-19(2)16(22)20-9-7-12(8-10-20)15(21)18-11-13-5-3-4-6-14(13)17/h3-6,12H,7-11H2,1-2H3,(H,18,21)
InChIKeyBUQFFQWENGBJJH-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.35
Rot. Bonds3

About 4-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 3235965) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID3235965
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name4-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O2/c1-19(2)16(22)20-9-7-12(8-10-20)15(21)18-11-13-5-3-4-6-14(13)17/h3-6,12H,7-11H2,1-2H3,(H,18,21)
InChIKeyBUQFFQWENGBJJH-UHFFFAOYSA-N
XLogP2.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 3235965) is 4-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is BUQFFQWENGBJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-19(2)16(22)20-9-7-12(8-10-20)15(21)18-11-13-5-3-4-6-14(13)17/h3-6,12H,7-11H2,1-2H3,(H,18,21).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 323.82 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 3235965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).