2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C16H27N5O2 — CID 110106183

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCN(CCO)CC1)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C16H27N5O2/c22-12-11-19-7-9-20(10-8-19)13-16(23)21-6-2-1-3-15(21)14-4-5-17-18-14/h4-5,15,22H,1-3,6-13H2,(H,17,18)
InChIKeyCLYKICKFYCRQSZ-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.07
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 110106183) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID110106183
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCN(CCO)CC1)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C16H27N5O2/c22-12-11-19-7-9-20(10-8-19)13-16(23)21-6-2-1-3-15(21)14-4-5-17-18-14/h4-5,15,22H,1-3,6-13H2,(H,17,18)
InChIKeyCLYKICKFYCRQSZ-UHFFFAOYSA-N
XLogP0.07
TPSA75.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 95841214
2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124966203
3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 125002954
6-methyl-2-[2-oxo-2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 125008421
3,3-dimethyl-1-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 95821595
(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 123681411
1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175652588
3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110106186
tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 75817647
[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124641151
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95845730
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 94871156

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 110106183) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is O=C(CN1CCN(CCO)CC1)N1CCCCC1c1ccn[nH]1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is CLYKICKFYCRQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c22-12-11-19-7-9-20(10-8-19)13-16(23)21-6-2-1-3-15(21)14-4-5-17-18-14/h4-5,15,22H,1-3,6-13H2,(H,17,18).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 321.43 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110106183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).