3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C20H30N4O3 — CID 102556035

IUPAC3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2CCCN(C(=O)N(C)C)C2)c1
InChIInChI=1S/C20H30N4O3/c1-5-23(6-2)19(26)15-9-7-11-17(13-15)21-18(25)16-10-8-12-24(14-16)20(27)22(3)4/h7,9,11,13,16H,5-6,8,10,12,14H2,1-4H3,(H,21,25)
InChIKeyQXUQAPFLSKXSED-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.50
Rot. Bonds5

About 3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 102556035) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID102556035
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2CCCN(C(=O)N(C)C)C2)c1
InChIInChI=1S/C20H30N4O3/c1-5-23(6-2)19(26)15-9-7-11-17(13-15)21-18(25)16-10-8-12-24(14-16)20(27)22(3)4/h7,9,11,13,16H,5-6,8,10,12,14H2,1-4H3,(H,21,25)
InChIKeyQXUQAPFLSKXSED-UHFFFAOYSA-N
XLogP2.50
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 51956289
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
(3S)-3-N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
CID 51956282
3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
CID 47045244
(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161112
3-(cyclohexanecarbonylamino)-N,N-dimethylbenzamide
CID 17231797
N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 31973447
(3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide
CID 51956267
(3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161128
3-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56922913
N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55556995

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 102556035) is 3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is CCN(CC)C(=O)c1cccc(NC(=O)C2CCCN(C(=O)N(C)C)C2)c1.
What is the InChIKey of 3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is QXUQAPFLSKXSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-5-23(6-2)19(26)15-9-7-11-17(13-15)21-18(25)16-10-8-12-24(14-16)20(27)22(3)4/h7,9,11,13,16H,5-6,8,10,12,14H2,1-4H3,(H,21,25).
What are the key properties of 3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 102556035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).