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

C14H20N2O3 — CID 43430824

IUPAC1-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCCC(CO)C1
InChIInChI=1S/C14H20N2O3/c17-11-12-4-3-8-16(10-12)14(19)6-9-15-7-2-1-5-13(15)18/h1-2,5,7,12,17H,3-4,6,8-11H2
InChIKeyDHDDSEXNFSBUDM-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.47
Rot. Bonds4

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

1-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 43430824) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
PubChem CID43430824
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCCC(CO)C1
InChIInChI=1S/C14H20N2O3/c17-11-12-4-3-8-16(10-12)14(19)6-9-15-7-2-1-5-13(15)18/h1-2,5,7,12,17H,3-4,6,8-11H2
InChIKeyDHDDSEXNFSBUDM-UHFFFAOYSA-N
XLogP0.47
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one (CID 43430824) is 1-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one is O=C(CCn1ccccc1=O)N1CCCC(CO)C1.
What is the InChIKey of 1-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is DHDDSEXNFSBUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-11-12-4-3-8-16(10-12)14(19)6-9-15-7-2-1-5-13(15)18/h1-2,5,7,12,17H,3-4,6,8-11H2.
What are the key properties of 1-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 264.32 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 43430824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).