(3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide

C22H32N4O3 — CID 51956267

IUPAC(3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(N3CCCCC3=O)c2)C1
InChIInChI=1S/C22H32N4O3/c1-3-24(4-2)22(29)25-13-8-9-17(16-25)21(28)23-18-10-7-11-19(15-18)26-14-6-5-12-20(26)27/h7,10-11,15,17H,3-6,8-9,12-14,16H2,1-2H3,(H,23,28)/t17-/m1/s1
InChIKeyZMURXNSHEIEJFK-QGZVFWFLSA-N
MW400.52 g/mol
LogP3.32
Rot. Bonds5

About (3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide

(3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide (PubChem CID 51956267) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is (3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide
PubChem CID51956267
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name(3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(N3CCCCC3=O)c2)C1
InChIInChI=1S/C22H32N4O3/c1-3-24(4-2)22(29)25-13-8-9-17(16-25)21(28)23-18-10-7-11-19(15-18)26-14-6-5-12-20(26)27/h7,10-11,15,17H,3-6,8-9,12-14,16H2,1-2H3,(H,23,28)/t17-/m1/s1
InChIKeyZMURXNSHEIEJFK-QGZVFWFLSA-N
XLogP3.32
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
CID 47045244
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
(3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 33173212
(3S)-3-N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
CID 51956282
3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 102556035
(3S)-1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 38802258
N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 119289998
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 56508448
(2R)-2-ethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide
CID 124625433
2-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 119290000
cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide (CID 51956267) is (3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide is CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(N3CCCCC3=O)c2)C1.
What is the InChIKey of (3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is ZMURXNSHEIEJFK-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-3-24(4-2)22(29)25-13-8-9-17(16-25)21(28)23-18-10-7-11-19(15-18)26-14-6-5-12-20(26)27/h7,10-11,15,17H,3-6,8-9,12-14,16H2,1-2H3,(H,23,28)/t17-/m1/s1.
What are the key properties of (3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide?
(3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 400.52 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 51956267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).