5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one

C19H35N3O2 — CID 138378076

IUPAC5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CC(CN2CCC(N3CCC(O)CC3)CC2)CCC1=O
InChIInChI=1S/C19H35N3O2/c1-15(2)22-14-16(3-4-19(22)24)13-20-9-5-17(6-10-20)21-11-7-18(23)8-12-21/h15-18,23H,3-14H2,1-2H3
InChIKeyGAYFSFHYKIVTGO-UHFFFAOYSA-N
MW337.51 g/mol
LogP1.55
Rot. Bonds4

About 5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one

5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one (PubChem CID 138378076) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one
PubChem CID138378076
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CC(CN2CCC(N3CCC(O)CC3)CC2)CCC1=O
InChIInChI=1S/C19H35N3O2/c1-15(2)22-14-16(3-4-19(22)24)13-20-9-5-17(6-10-20)21-11-7-18(23)8-12-21/h15-18,23H,3-14H2,1-2H3
InChIKeyGAYFSFHYKIVTGO-UHFFFAOYSA-N
XLogP1.55
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one?
The IUPAC name of 5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one (CID 138378076) is 5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one is CC(C)N1CC(CN2CCC(N3CCC(O)CC3)CC2)CCC1=O.
What is the InChIKey of 5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one?
The InChIKey is GAYFSFHYKIVTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-15(2)22-14-16(3-4-19(22)24)13-20-9-5-17(6-10-20)21-11-7-18(23)8-12-21/h15-18,23H,3-14H2,1-2H3.
What are the key properties of 5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one?
5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one has a molecular weight of 337.51 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 138378076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).