(3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one

C20H32N4O2 — CID 42530364

IUPAC(3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one
SMILESO=C1N(CCC2CCCCC2)CCC[C@@]1(O)CN1CCc2[nH]ncc2C1
InChIInChI=1S/C20H32N4O2/c25-19-20(26,15-23-11-8-18-17(14-23)13-21-22-18)9-4-10-24(19)12-7-16-5-2-1-3-6-16/h13,16,26H,1-12,14-15H2,(H,21,22)/t20-/m1/s1
InChIKeyJTRRKRRYEIHNCT-HXUWFJFHSA-N
MW360.50 g/mol
LogP2.09
Rot. Bonds5

About (3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one

(3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one (PubChem CID 42530364) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is (3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one
PubChem CID42530364
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name(3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one
SMILESO=C1N(CCC2CCCCC2)CCC[C@@]1(O)CN1CCc2[nH]ncc2C1
InChIInChI=1S/C20H32N4O2/c25-19-20(26,15-23-11-8-18-17(14-23)13-21-22-18)9-4-10-24(19)12-7-16-5-2-1-3-6-16/h13,16,26H,1-12,14-15H2,(H,21,22)/t20-/m1/s1
InChIKeyJTRRKRRYEIHNCT-HXUWFJFHSA-N
XLogP2.09
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one?
The IUPAC name of (3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one (CID 42530364) is (3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one.
What is the SMILES notation for (3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one?
The canonical SMILES for (3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one is O=C1N(CCC2CCCCC2)CCC[C@@]1(O)CN1CCc2[nH]ncc2C1.
What is the InChIKey of (3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one?
The InChIKey is JTRRKRRYEIHNCT-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H32N4O2/c25-19-20(26,15-23-11-8-18-17(14-23)13-21-22-18)9-4-10-24(19)12-7-16-5-2-1-3-6-16/h13,16,26H,1-12,14-15H2,(H,21,22)/t20-/m1/s1.
What are the key properties of (3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one?
(3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one has a molecular weight of 360.50 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one is sourced from PubChem (CID 42530364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).