2-(1-hydroxycyclohexyl)-1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone

C16H25N3O2 — CID 111539236

IUPAC2-(1-hydroxycyclohexyl)-1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1(O)CCCCC1)N1CCCC(c2cn[nH]c2)C1
InChIInChI=1S/C16H25N3O2/c20-15(9-16(21)6-2-1-3-7-16)19-8-4-5-13(12-19)14-10-17-18-11-14/h10-11,13,21H,1-9,12H2,(H,17,18)
InChIKeyCKRJPLGOACEYGD-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.20
Rot. Bonds3

About 2-(1-hydroxycyclohexyl)-1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone

2-(1-hydroxycyclohexyl)-1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone (PubChem CID 111539236) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
PubChem CID111539236
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(1-hydroxycyclohexyl)-1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1(O)CCCCC1)N1CCCC(c2cn[nH]c2)C1
InChIInChI=1S/C16H25N3O2/c20-15(9-16(21)6-2-1-3-7-16)19-8-4-5-13(12-19)14-10-17-18-11-14/h10-11,13,21H,1-9,12H2,(H,17,18)
InChIKeyCKRJPLGOACEYGD-UHFFFAOYSA-N
XLogP2.20
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-hydroxycyclohexyl)-1-[3-(1H-pyrazol-4-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

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-hydroxycyclohexyl)-1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone (CID 111539236) is 2-(1-hydroxycyclohexyl)-1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone is O=C(CC1(O)CCCCC1)N1CCCC(c2cn[nH]c2)C1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone?
The InChIKey is CKRJPLGOACEYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c20-15(9-16(21)6-2-1-3-7-16)19-8-4-5-13(12-19)14-10-17-18-11-14/h10-11,13,21H,1-9,12H2,(H,17,18).
What are the key properties of 2-(1-hydroxycyclohexyl)-1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone?
2-(1-hydroxycyclohexyl)-1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone has a molecular weight of 291.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 111539236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).