1-N,1-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-1,4-dicarboxamide

C15H25N5O2 — CID 91844317

IUPAC1-N,1-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCCc2ccnn2C)CC1
InChIInChI=1S/C15H25N5O2/c1-18(2)15(22)20-10-6-12(7-11-20)14(21)16-8-4-13-5-9-17-19(13)3/h5,9,12H,4,6-8,10-11H2,1-3H3,(H,16,21)
InChIKeyWIBBFOFHUBRCLU-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.47
Rot. Bonds4

About 1-N,1-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-1,4-dicarboxamide

1-N,1-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-1,4-dicarboxamide (PubChem CID 91844317) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-1,4-dicarboxamide
PubChem CID91844317
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-N,1-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCCc2ccnn2C)CC1
InChIInChI=1S/C15H25N5O2/c1-18(2)15(22)20-10-6-12(7-11-20)14(21)16-8-4-13-5-9-17-19(13)3/h5,9,12H,4,6-8,10-11H2,1-3H3,(H,16,21)
InChIKeyWIBBFOFHUBRCLU-UHFFFAOYSA-N
XLogP0.47
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-1,4-dicarboxamide (CID 91844317) is 1-N,1-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NCCc2ccnn2C)CC1.
What is the InChIKey of 1-N,1-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-1,4-dicarboxamide?
The InChIKey is WIBBFOFHUBRCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-18(2)15(22)20-10-6-12(7-11-20)14(21)16-8-4-13-5-9-17-19(13)3/h5,9,12H,4,6-8,10-11H2,1-3H3,(H,16,21).
What are the key properties of 1-N,1-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-1,4-dicarboxamide?
1-N,1-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-1,4-dicarboxamide has a molecular weight of 307.40 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 91844317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).