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

C16H23N3O3 — CID 86820575

IUPAC(3R,4S)-3-(2-methoxyethoxy)-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one
SMILESCOCCO[C@H]1C(=O)N(C2CCNCC2)[C@H]1c1ccncc1
InChIInChI=1S/C16H23N3O3/c1-21-10-11-22-15-14(12-2-6-17-7-3-12)19(16(15)20)13-4-8-18-9-5-13/h2-3,6-7,13-15,18H,4-5,8-11H2,1H3/t14-,15+/m0/s1
InChIKeyKAUWBVJADQBPAC-LSDHHAIUSA-N
MW305.38 g/mol
LogP0.75
Rot. Bonds6

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

(3R,4S)-3-(2-methoxyethoxy)-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one (PubChem CID 86820575) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3R,4S)-3-(2-methoxyethoxy)-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-(2-methoxyethoxy)-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one
PubChem CID86820575
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(3R,4S)-3-(2-methoxyethoxy)-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one
SMILESCOCCO[C@H]1C(=O)N(C2CCNCC2)[C@H]1c1ccncc1
InChIInChI=1S/C16H23N3O3/c1-21-10-11-22-15-14(12-2-6-17-7-3-12)19(16(15)20)13-4-8-18-9-5-13/h2-3,6-7,13-15,18H,4-5,8-11H2,1H3/t14-,15+/m0/s1
InChIKeyKAUWBVJADQBPAC-LSDHHAIUSA-N
XLogP0.75
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(2-methoxyethoxy)-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one?
The IUPAC name of (3R,4S)-3-(2-methoxyethoxy)-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one (CID 86820575) is (3R,4S)-3-(2-methoxyethoxy)-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-(2-methoxyethoxy)-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-(2-methoxyethoxy)-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one is COCCO[C@H]1C(=O)N(C2CCNCC2)[C@H]1c1ccncc1.
What is the InChIKey of (3R,4S)-3-(2-methoxyethoxy)-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one?
The InChIKey is KAUWBVJADQBPAC-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-21-10-11-22-15-14(12-2-6-17-7-3-12)19(16(15)20)13-4-8-18-9-5-13/h2-3,6-7,13-15,18H,4-5,8-11H2,1H3/t14-,15+/m0/s1.
What are the key properties of (3R,4S)-3-(2-methoxyethoxy)-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one?
(3R,4S)-3-(2-methoxyethoxy)-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one has a molecular weight of 305.38 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(2-methoxyethoxy)-1-piperidin-4-yl-4-pyridin-4-ylazetidin-2-one is sourced from PubChem (CID 86820575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).