2-(1-hydroxycyclohexyl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C17H27N3O2 — CID 110271152

IUPAC2-(1-hydroxycyclohexyl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1cn[nH]c1C1CCCCN1C(=O)CC1(O)CCCCC1
InChIInChI=1S/C17H27N3O2/c1-13-12-18-19-16(13)14-7-3-6-10-20(14)15(21)11-17(22)8-4-2-5-9-17/h12,14,22H,2-11H2,1H3,(H,18,19)
InChIKeyNRQPATFSQWQTOM-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.86
Rot. Bonds3

About 2-(1-hydroxycyclohexyl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-(1-hydroxycyclohexyl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 110271152) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID110271152
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-(1-hydroxycyclohexyl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1cn[nH]c1C1CCCCN1C(=O)CC1(O)CCCCC1
InChIInChI=1S/C17H27N3O2/c1-13-12-18-19-16(13)14-7-3-6-10-20(14)15(21)11-17(22)8-4-2-5-9-17/h12,14,22H,2-11H2,1H3,(H,18,19)
InChIKeyNRQPATFSQWQTOM-UHFFFAOYSA-N
XLogP2.86
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.86
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-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-hydroxycyclohexyl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 110271152) is 2-(1-hydroxycyclohexyl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is Cc1cn[nH]c1C1CCCCN1C(=O)CC1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is NRQPATFSQWQTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-12-18-19-16(13)14-7-3-6-10-20(14)15(21)11-17(22)8-4-2-5-9-17/h12,14,22H,2-11H2,1H3,(H,18,19).
What are the key properties of 2-(1-hydroxycyclohexyl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-(1-hydroxycyclohexyl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 305.42 g/mol, XLogP of 2.86, 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-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110271152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).