1-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide

C16H24N4O3 — CID 71810164

IUPAC1-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cnn(C3CCOCC3)c2)CC1
InChIInChI=1S/C16H24N4O3/c1-12(21)19-6-2-13(3-7-19)16(22)18-14-10-17-20(11-14)15-4-8-23-9-5-15/h10-11,13,15H,2-9H2,1H3,(H,18,22)
InChIKeyGDZMQOQLRUJLMJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.43
Rot. Bonds3

About 1-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide

1-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide (PubChem CID 71810164) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide
PubChem CID71810164
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cnn(C3CCOCC3)c2)CC1
InChIInChI=1S/C16H24N4O3/c1-12(21)19-6-2-13(3-7-19)16(22)18-14-10-17-20(11-14)15-4-8-23-9-5-15/h10-11,13,15H,2-9H2,1H3,(H,18,22)
InChIKeyGDZMQOQLRUJLMJ-UHFFFAOYSA-N
XLogP1.43
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide (CID 71810164) is 1-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cnn(C3CCOCC3)c2)CC1.
What is the InChIKey of 1-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide?
The InChIKey is GDZMQOQLRUJLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12(21)19-6-2-13(3-7-19)16(22)18-14-10-17-20(11-14)15-4-8-23-9-5-15/h10-11,13,15H,2-9H2,1H3,(H,18,22).
What are the key properties of 1-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide?
1-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 71810164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).