4-N-[(4-cyanophenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide

C19H26N4O2 — CID 46483680

IUPAC4-N-[(4-cyanophenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)NCc2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H26N4O2/c1-3-22(4-2)19(25)23-11-9-17(10-12-23)18(24)21-14-16-7-5-15(13-20)6-8-16/h5-8,17H,3-4,9-12,14H2,1-2H3,(H,21,24)
InChIKeySGBMYPTWBLGCRT-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.35
Rot. Bonds5

About 4-N-[(4-cyanophenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide

4-N-[(4-cyanophenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide (PubChem CID 46483680) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-N-[(4-cyanophenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-cyanophenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
PubChem CID46483680
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-N-[(4-cyanophenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)NCc2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H26N4O2/c1-3-22(4-2)19(25)23-11-9-17(10-12-23)18(24)21-14-16-7-5-15(13-20)6-8-16/h5-8,17H,3-4,9-12,14H2,1-2H3,(H,21,24)
InChIKeySGBMYPTWBLGCRT-UHFFFAOYSA-N
XLogP2.35
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-diethyl-4-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 46473963
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 46470684
4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55721690
tert-butyl (3R)-3-[(4-cyanophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 94044438
4-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 86968271
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide
CID 18670937
tert-butyl 4-[[4-(diethylaminomethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 40707660
N-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide
CID 173154239
1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 110794531
N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 113319928
4-N,4-N-diethyl-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148420

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-cyanophenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(4-cyanophenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide (CID 46483680) is 4-N-[(4-cyanophenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-cyanophenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-cyanophenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide is CCN(CC)C(=O)N1CCC(C(=O)NCc2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-N-[(4-cyanophenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
The InChIKey is SGBMYPTWBLGCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-22(4-2)19(25)23-11-9-17(10-12-23)18(24)21-14-16-7-5-15(13-20)6-8-16/h5-8,17H,3-4,9-12,14H2,1-2H3,(H,21,24).
What are the key properties of 4-N-[(4-cyanophenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
4-N-[(4-cyanophenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-cyanophenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 46483680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).