1-[3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one

C14H20N2O4 — CID 56750445

IUPAC1-[3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCC(O)(CO)CC1
InChIInChI=1S/C14H20N2O4/c17-11-14(20)5-9-16(10-6-14)13(19)4-8-15-7-2-1-3-12(15)18/h1-3,7,17,20H,4-6,8-11H2
InChIKeyJPWWXBPBWFMNDK-UHFFFAOYSA-N
MW280.32 g/mol
LogP-0.42
Rot. Bonds4

About 1-[3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one

1-[3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 56750445) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
PubChem CID56750445
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCC(O)(CO)CC1
InChIInChI=1S/C14H20N2O4/c17-11-14(20)5-9-16(10-6-14)13(19)4-8-15-7-2-1-3-12(15)18/h1-3,7,17,20H,4-6,8-11H2
InChIKeyJPWWXBPBWFMNDK-UHFFFAOYSA-N
XLogP-0.42
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one (CID 56750445) is 1-[3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one is O=C(CCn1ccccc1=O)N1CCC(O)(CO)CC1.
What is the InChIKey of 1-[3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is JPWWXBPBWFMNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-11-14(20)5-9-16(10-6-14)13(19)4-8-15-7-2-1-3-12(15)18/h1-3,7,17,20H,4-6,8-11H2.
What are the key properties of 1-[3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 280.32 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 56750445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).