1-[4-[ethyl(2-pyrazol-1-ylethyl)amino]piperidin-1-yl]ethanone

C14H24N4O — CID 50969341

IUPAC1-[4-[ethyl(2-pyrazol-1-ylethyl)amino]piperidin-1-yl]ethanone
SMILESCCN(CCn1cccn1)C1CCN(C(C)=O)CC1
InChIInChI=1S/C14H24N4O/c1-3-16(11-12-18-8-4-7-15-18)14-5-9-17(10-6-14)13(2)19/h4,7-8,14H,3,5-6,9-12H2,1-2H3
InChIKeyFSSJXXHLDNRQMZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.22
Rot. Bonds5

About 1-[4-[ethyl(2-pyrazol-1-ylethyl)amino]piperidin-1-yl]ethanone

1-[4-[ethyl(2-pyrazol-1-ylethyl)amino]piperidin-1-yl]ethanone (PubChem CID 50969341) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[4-[ethyl(2-pyrazol-1-ylethyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[ethyl(2-pyrazol-1-ylethyl)amino]piperidin-1-yl]ethanone
PubChem CID50969341
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[4-[ethyl(2-pyrazol-1-ylethyl)amino]piperidin-1-yl]ethanone
SMILESCCN(CCn1cccn1)C1CCN(C(C)=O)CC1
InChIInChI=1S/C14H24N4O/c1-3-16(11-12-18-8-4-7-15-18)14-5-9-17(10-6-14)13(2)19/h4,7-8,14H,3,5-6,9-12H2,1-2H3
InChIKeyFSSJXXHLDNRQMZ-UHFFFAOYSA-N
XLogP1.22
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl(2-pyrazol-1-ylethyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[ethyl(2-pyrazol-1-ylethyl)amino]piperidin-1-yl]ethanone (CID 50969341) is 1-[4-[ethyl(2-pyrazol-1-ylethyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[ethyl(2-pyrazol-1-ylethyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[ethyl(2-pyrazol-1-ylethyl)amino]piperidin-1-yl]ethanone is CCN(CCn1cccn1)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[ethyl(2-pyrazol-1-ylethyl)amino]piperidin-1-yl]ethanone?
The InChIKey is FSSJXXHLDNRQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-16(11-12-18-8-4-7-15-18)14-5-9-17(10-6-14)13(2)19/h4,7-8,14H,3,5-6,9-12H2,1-2H3.
What are the key properties of 1-[4-[ethyl(2-pyrazol-1-ylethyl)amino]piperidin-1-yl]ethanone?
1-[4-[ethyl(2-pyrazol-1-ylethyl)amino]piperidin-1-yl]ethanone has a molecular weight of 264.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl(2-pyrazol-1-ylethyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 50969341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).