(3R,4S)-3-methoxy-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one

C14H19N3O2 — CID 90488098

IUPAC(3R,4S)-3-methoxy-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one
SMILESCO[C@H]1C(=O)N(C2CCNCC2)[C@H]1c1ccncc1
InChIInChI=1S/C14H19N3O2/c1-19-13-12(10-2-6-15-7-3-10)17(14(13)18)11-4-8-16-9-5-11/h2-3,6-7,11-13,16H,4-5,8-9H2,1H3/t12-,13+/m0/s1
InChIKeyQDOYNAJXAJCHQC-QWHCGFSZSA-N
MW261.32 g/mol
LogP0.73
Rot. Bonds3

About (3R,4S)-3-methoxy-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one

(3R,4S)-3-methoxy-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one (PubChem CID 90488098) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3R,4S)-3-methoxy-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-methoxy-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one
PubChem CID90488098
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(3R,4S)-3-methoxy-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one
SMILESCO[C@H]1C(=O)N(C2CCNCC2)[C@H]1c1ccncc1
InChIInChI=1S/C14H19N3O2/c1-19-13-12(10-2-6-15-7-3-10)17(14(13)18)11-4-8-16-9-5-11/h2-3,6-7,11-13,16H,4-5,8-9H2,1H3/t12-,13+/m0/s1
InChIKeyQDOYNAJXAJCHQC-QWHCGFSZSA-N
XLogP0.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methoxy-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one?
The IUPAC name of (3R,4S)-3-methoxy-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one (CID 90488098) is (3R,4S)-3-methoxy-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-methoxy-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-methoxy-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one is CO[C@H]1C(=O)N(C2CCNCC2)[C@H]1c1ccncc1.
What is the InChIKey of (3R,4S)-3-methoxy-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one?
The InChIKey is QDOYNAJXAJCHQC-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-19-13-12(10-2-6-15-7-3-10)17(14(13)18)11-4-8-16-9-5-11/h2-3,6-7,11-13,16H,4-5,8-9H2,1H3/t12-,13+/m0/s1.
What are the key properties of (3R,4S)-3-methoxy-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one?
(3R,4S)-3-methoxy-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methoxy-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one is sourced from PubChem (CID 90488098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).