3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide

C22H31N5O2 — CID 47045244

IUPAC3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)N1CCCC(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)C1
InChIInChI=1S/C22H31N5O2/c1-5-25(6-2)22(29)26-12-8-9-18(15-26)21(28)23-19-10-7-11-20(14-19)27-17(4)13-16(3)24-27/h7,10-11,13-14,18H,5-6,8-9,12,15H2,1-4H3,(H,23,28)
InChIKeyZQYMVFBZPQHWRU-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.60
Rot. Bonds5

About 3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide

3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide (PubChem CID 47045244) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
PubChem CID47045244
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)N1CCCC(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)C1
InChIInChI=1S/C22H31N5O2/c1-5-25(6-2)22(29)26-12-8-9-18(15-26)21(28)23-19-10-7-11-20(14-19)27-17(4)13-16(3)24-27/h7,10-11,13-14,18H,5-6,8-9,12,15H2,1-4H3,(H,23,28)
InChIKeyZQYMVFBZPQHWRU-UHFFFAOYSA-N
XLogP3.60
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide with MolForge

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Related Compounds

tert-butyl 3-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 47045246
(3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide
CID 51956267
(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
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405576
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105
(3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide
CID 51955896
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119294776
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 87039966
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
tert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 56519049
(3S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 37037042

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide (CID 47045244) is 3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide is CCN(CC)C(=O)N1CCCC(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)C1.
What is the InChIKey of 3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide?
The InChIKey is ZQYMVFBZPQHWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-5-25(6-2)22(29)26-12-8-9-18(15-26)21(28)23-19-10-7-11-20(14-19)27-17(4)13-16(3)24-27/h7,10-11,13-14,18H,5-6,8-9,12,15H2,1-4H3,(H,23,28).
What are the key properties of 3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide?
3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 47045244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).