1-[3-(3-morpholin-4-ylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one

C16H25N3O3 — CID 154876943

IUPAC1-[3-(3-morpholin-4-ylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC(C(=O)N2CCCC(N3CCOCC3)C2)C1
InChIInChI=1S/C16H25N3O3/c1-2-15(20)19-10-13(11-19)16(21)18-5-3-4-14(12-18)17-6-8-22-9-7-17/h2,13-14H,1,3-12H2
InChIKeyFHJCHZPXSXWVAI-UHFFFAOYSA-N
MW307.39 g/mol
LogP-0.05
Rot. Bonds3

About 1-[3-(3-morpholin-4-ylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one

1-[3-(3-morpholin-4-ylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one (PubChem CID 154876943) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[3-(3-morpholin-4-ylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-(3-morpholin-4-ylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one
PubChem CID154876943
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-[3-(3-morpholin-4-ylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC(C(=O)N2CCCC(N3CCOCC3)C2)C1
InChIInChI=1S/C16H25N3O3/c1-2-15(20)19-10-13(11-19)16(21)18-5-3-4-14(12-18)17-6-8-22-9-7-17/h2,13-14H,1,3-12H2
InChIKeyFHJCHZPXSXWVAI-UHFFFAOYSA-N
XLogP-0.05
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-morpholin-4-ylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[3-(3-morpholin-4-ylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one (CID 154876943) is 1-[3-(3-morpholin-4-ylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-(3-morpholin-4-ylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[3-(3-morpholin-4-ylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CC(C(=O)N2CCCC(N3CCOCC3)C2)C1.
What is the InChIKey of 1-[3-(3-morpholin-4-ylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one?
The InChIKey is FHJCHZPXSXWVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-2-15(20)19-10-13(11-19)16(21)18-5-3-4-14(12-18)17-6-8-22-9-7-17/h2,13-14H,1,3-12H2.
What are the key properties of 1-[3-(3-morpholin-4-ylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one?
1-[3-(3-morpholin-4-ylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one has a molecular weight of 307.39 g/mol, XLogP of -0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-morpholin-4-ylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 154876943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).