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

C16H27N5O2 — CID 70749819

IUPAC3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-1,3-dicarboxamide
SMILESCCn1nc(C)c(CCNC(=O)C2CCCN(C(N)=O)C2)c1C
InChIInChI=1S/C16H27N5O2/c1-4-21-12(3)14(11(2)19-21)7-8-18-15(22)13-6-5-9-20(10-13)16(17)23/h13H,4-10H2,1-3H3,(H2,17,23)(H,18,22)
InChIKeyKVRQLWQVSZWWEK-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.97
Rot. Bonds5

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

3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-1,3-dicarboxamide (PubChem CID 70749819) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-1,3-dicarboxamide
PubChem CID70749819
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-1,3-dicarboxamide
SMILESCCn1nc(C)c(CCNC(=O)C2CCCN(C(N)=O)C2)c1C
InChIInChI=1S/C16H27N5O2/c1-4-21-12(3)14(11(2)19-21)7-8-18-15(22)13-6-5-9-20(10-13)16(17)23/h13H,4-10H2,1-3H3,(H2,17,23)(H,18,22)
InChIKeyKVRQLWQVSZWWEK-UHFFFAOYSA-N
XLogP0.97
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.97
H-Bond Donors ≤ 52
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]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-1,3-dicarboxamide (CID 70749819) is 3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-1,3-dicarboxamide is CCn1nc(C)c(CCNC(=O)C2CCCN(C(N)=O)C2)c1C.
What is the InChIKey of 3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-1,3-dicarboxamide?
The InChIKey is KVRQLWQVSZWWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-4-21-12(3)14(11(2)19-21)7-8-18-15(22)13-6-5-9-20(10-13)16(17)23/h13H,4-10H2,1-3H3,(H2,17,23)(H,18,22).
What are the key properties of 3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-1,3-dicarboxamide?
3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-1,3-dicarboxamide has a molecular weight of 321.43 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 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]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 70749819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).