3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]piperidin-2-one

C17H28N4O3 — CID 56705753

IUPAC3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]piperidin-2-one
SMILESCOCCN1CCCC(O)(CN(C)Cc2n[nH]c3c2CCC3)C1=O
InChIInChI=1S/C17H28N4O3/c1-20(11-15-13-5-3-6-14(13)18-19-15)12-17(23)7-4-8-21(16(17)22)9-10-24-2/h23H,3-12H2,1-2H3,(H,18,19)
InChIKeyYTXLSYINKPOTRC-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.33
Rot. Bonds7

About 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]piperidin-2-one

3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]piperidin-2-one (PubChem CID 56705753) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]piperidin-2-one
PubChem CID56705753
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]piperidin-2-one
SMILESCOCCN1CCCC(O)(CN(C)Cc2n[nH]c3c2CCC3)C1=O
InChIInChI=1S/C17H28N4O3/c1-20(11-15-13-5-3-6-14(13)18-19-15)12-17(23)7-4-8-21(16(17)22)9-10-24-2/h23H,3-12H2,1-2H3,(H,18,19)
InChIKeyYTXLSYINKPOTRC-UHFFFAOYSA-N
XLogP0.33
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]piperidin-2-one?
The IUPAC name of 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]piperidin-2-one (CID 56705753) is 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]piperidin-2-one.
What is the SMILES notation for 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]piperidin-2-one?
The canonical SMILES for 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]piperidin-2-one is COCCN1CCCC(O)(CN(C)Cc2n[nH]c3c2CCC3)C1=O.
What is the InChIKey of 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]piperidin-2-one?
The InChIKey is YTXLSYINKPOTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-20(11-15-13-5-3-6-14(13)18-19-15)12-17(23)7-4-8-21(16(17)22)9-10-24-2/h23H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]piperidin-2-one?
3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]piperidin-2-one has a molecular weight of 336.44 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 56705753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).