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

C17H28N4O2 — CID 72845553

IUPAC1-acetyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)C2CCCN(C(C)=O)C2)c1C
InChIInChI=1S/C17H28N4O2/c1-5-21-13(3)16(12(2)19-21)8-9-18-17(23)15-7-6-10-20(11-15)14(4)22/h15H,5-11H2,1-4H3,(H,18,23)
InChIKeyTZWPGYHOSNCQQN-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.44
Rot. Bonds5

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

1-acetyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide (PubChem CID 72845553) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-acetyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
PubChem CID72845553
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-acetyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)C2CCCN(C(C)=O)C2)c1C
InChIInChI=1S/C17H28N4O2/c1-5-21-13(3)16(12(2)19-21)8-9-18-17(23)15-7-6-10-20(11-15)14(4)22/h15H,5-11H2,1-4H3,(H,18,23)
InChIKeyTZWPGYHOSNCQQN-UHFFFAOYSA-N
XLogP1.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide (CID 72845553) is 1-acetyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide is CCn1nc(C)c(CCNC(=O)C2CCCN(C(C)=O)C2)c1C.
What is the InChIKey of 1-acetyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is TZWPGYHOSNCQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-5-21-13(3)16(12(2)19-21)8-9-18-17(23)15-7-6-10-20(11-15)14(4)22/h15H,5-11H2,1-4H3,(H,18,23).
What are the key properties of 1-acetyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
1-acetyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 72845553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).