3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C18H31N5O2 — CID 72899714

IUPAC3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCCn1nc(C)c(CCNC(=O)C2CCCN(C(=O)N(C)C)C2)c1C
InChIInChI=1S/C18H31N5O2/c1-6-23-14(3)16(13(2)20-23)9-10-19-17(24)15-8-7-11-22(12-15)18(25)21(4)5/h15H,6-12H2,1-5H3,(H,19,24)
InChIKeyUSEMPIAPRDLYGZ-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.57
Rot. Bonds5

About 3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 72899714) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID72899714
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCCn1nc(C)c(CCNC(=O)C2CCCN(C(=O)N(C)C)C2)c1C
InChIInChI=1S/C18H31N5O2/c1-6-23-14(3)16(13(2)20-23)9-10-19-17(24)15-8-7-11-22(12-15)18(25)21(4)5/h15H,6-12H2,1-5H3,(H,19,24)
InChIKeyUSEMPIAPRDLYGZ-UHFFFAOYSA-N
XLogP1.57
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 72899714) is 3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is CCn1nc(C)c(CCNC(=O)C2CCCN(C(=O)N(C)C)C2)c1C.
What is the InChIKey of 3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is USEMPIAPRDLYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-6-23-14(3)16(13(2)20-23)9-10-19-17(24)15-8-7-11-22(12-15)18(25)21(4)5/h15H,6-12H2,1-5H3,(H,19,24).
What are the key properties of 3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 72899714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).