3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide

C20H30N4O3 — CID 51328766

IUPAC3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H30N4O3/c1-4-23(5-2)18(25)15-22(3)19(26)16-10-9-13-24(14-16)20(27)21-17-11-7-6-8-12-17/h6-8,11-12,16H,4-5,9-10,13-15H2,1-3H3,(H,21,27)
InChIKeyVKTWZIISEDHZAA-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.26
Rot. Bonds6

About 3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 51328766) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID51328766
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H30N4O3/c1-4-23(5-2)18(25)15-22(3)19(26)16-10-9-13-24(14-16)20(27)21-17-11-7-6-8-12-17/h6-8,11-12,16H,4-5,9-10,13-15H2,1-3H3,(H,21,27)
InChIKeyVKTWZIISEDHZAA-UHFFFAOYSA-N
XLogP2.26
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
3-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 134044641
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
3-N-methyl-3-N-[2-(2-methylpropanoylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 75396728
3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 17447922
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126
(3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 94406394
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24655711
(3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8962325
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55621859
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide (CID 51328766) is 3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide is CCN(CC)C(=O)CN(C)C(=O)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is VKTWZIISEDHZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-4-23(5-2)18(25)15-22(3)19(26)16-10-9-13-24(14-16)20(27)21-17-11-7-6-8-12-17/h6-8,11-12,16H,4-5,9-10,13-15H2,1-3H3,(H,21,27).
What are the key properties of 3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 51328766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).