4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide

C18H26ClN3O2 — CID 56922996

IUPAC4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C18H26ClN3O2/c1-4-21(5-2)18(24)22-10-8-14(9-11-22)17(23)20-15-7-6-13(3)16(19)12-15/h6-7,12,14H,4-5,8-11H2,1-3H3,(H,20,23)
InChIKeyHJUPOKDMXVKRCV-UHFFFAOYSA-N
MW351.88 g/mol
LogP3.76
Rot. Bonds4

About 4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide

4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide (PubChem CID 56922996) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
PubChem CID56922996
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C18H26ClN3O2/c1-4-21(5-2)18(24)22-10-8-14(9-11-22)17(23)20-15-7-6-13(3)16(19)12-15/h6-7,12,14H,4-5,8-11H2,1-3H3,(H,20,23)
InChIKeyHJUPOKDMXVKRCV-UHFFFAOYSA-N
XLogP3.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55931672
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300
4-N-(3,5-dichlorophenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56923410
1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 55837891
N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344122
4-N-[4-(diethylsulfamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922315
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146300
N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145328
1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513
4-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 46446491
N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113006432

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide (CID 56922996) is 4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide is CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of 4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
The InChIKey is HJUPOKDMXVKRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-4-21(5-2)18(24)22-10-8-14(9-11-22)17(23)20-15-7-6-13(3)16(19)12-15/h6-7,12,14H,4-5,8-11H2,1-3H3,(H,20,23).
What are the key properties of 4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide has a molecular weight of 351.88 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 56922996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).