2-cyclopentyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone

C16H26N4O — CID 52907327

IUPAC2-cyclopentyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C16H26N4O/c21-16(14-15-4-1-2-5-15)19-11-8-18(9-12-19)10-13-20-7-3-6-17-20/h3,6-7,15H,1-2,4-5,8-14H2
InChIKeyRABQKFKWXWEMAG-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.61
Rot. Bonds5

About 2-cyclopentyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone

2-cyclopentyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone (PubChem CID 52907327) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
PubChem CID52907327
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-cyclopentyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C16H26N4O/c21-16(14-15-4-1-2-5-15)19-11-8-18(9-12-19)10-13-20-7-3-6-17-20/h3,6-7,15H,1-2,4-5,8-14H2
InChIKeyRABQKFKWXWEMAG-UHFFFAOYSA-N
XLogP1.61
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone (CID 52907327) is 2-cyclopentyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone is O=C(CC1CCCC1)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is RABQKFKWXWEMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c21-16(14-15-4-1-2-5-15)19-11-8-18(9-12-19)10-13-20-7-3-6-17-20/h3,6-7,15H,1-2,4-5,8-14H2.
What are the key properties of 2-cyclopentyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
2-cyclopentyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 52907327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).