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

C19H30N4O2 — CID 45189221

IUPAC1-(cyclohexylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one
SMILESO=C1N(CC2CCCCC2)CCCC1(O)CN1CCc2[nH]ncc2C1
InChIInChI=1S/C19H30N4O2/c24-18-19(25,14-22-10-7-17-16(13-22)11-20-21-17)8-4-9-23(18)12-15-5-2-1-3-6-15/h11,15,25H,1-10,12-14H2,(H,20,21)
InChIKeyHSKDOTRNMVVYRD-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.70
Rot. Bonds4

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

1-(cyclohexylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one (PubChem CID 45189221) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one
PubChem CID45189221
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-(cyclohexylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one
SMILESO=C1N(CC2CCCCC2)CCCC1(O)CN1CCc2[nH]ncc2C1
InChIInChI=1S/C19H30N4O2/c24-18-19(25,14-22-10-7-17-16(13-22)11-20-21-17)8-4-9-23(18)12-15-5-2-1-3-6-15/h11,15,25H,1-10,12-14H2,(H,20,21)
InChIKeyHSKDOTRNMVVYRD-UHFFFAOYSA-N
XLogP1.70
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one (CID 45189221) is 1-(cyclohexylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one is O=C1N(CC2CCCCC2)CCCC1(O)CN1CCc2[nH]ncc2C1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one?
The InChIKey is HSKDOTRNMVVYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c24-18-19(25,14-22-10-7-17-16(13-22)11-20-21-17)8-4-9-23(18)12-15-5-2-1-3-6-15/h11,15,25H,1-10,12-14H2,(H,20,21).
What are the key properties of 1-(cyclohexylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one?
1-(cyclohexylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one has a molecular weight of 346.48 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one is sourced from PubChem (CID 45189221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).