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

C16H25N3O2 — CID 111538701

IUPAC2-(1-hydroxycyclohexyl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1(O)CCCCC1)N1CCCCC1c1cn[nH]c1
InChIInChI=1S/C16H25N3O2/c20-15(10-16(21)7-3-1-4-8-16)19-9-5-2-6-14(19)13-11-17-18-12-13/h11-12,14,21H,1-10H2,(H,17,18)
InChIKeyVHDLORZKZGBERH-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.55
Rot. Bonds3

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

2-(1-hydroxycyclohexyl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone (PubChem CID 111538701) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
PubChem CID111538701
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(1-hydroxycyclohexyl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1(O)CCCCC1)N1CCCCC1c1cn[nH]c1
InChIInChI=1S/C16H25N3O2/c20-15(10-16(21)7-3-1-4-8-16)19-9-5-2-6-14(19)13-11-17-18-12-13/h11-12,14,21H,1-10H2,(H,17,18)
InChIKeyVHDLORZKZGBERH-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-hydroxycyclohexyl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone (CID 111538701) is 2-(1-hydroxycyclohexyl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone is O=C(CC1(O)CCCCC1)N1CCCCC1c1cn[nH]c1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone?
The InChIKey is VHDLORZKZGBERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c20-15(10-16(21)7-3-1-4-8-16)19-9-5-2-6-14(19)13-11-17-18-12-13/h11-12,14,21H,1-10H2,(H,17,18).
What are the key properties of 2-(1-hydroxycyclohexyl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone?
2-(1-hydroxycyclohexyl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone has a molecular weight of 291.39 g/mol, XLogP of 2.55, 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-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 111538701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).