(4-hydroxypiperidin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone

C14H18N2O3S — CID 52907465

IUPAC(4-hydroxypiperidin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
SMILESO=C(c1cccs1)N1CC(C(=O)N2CCC(O)CC2)C1
InChIInChI=1S/C14H18N2O3S/c17-11-3-5-15(6-4-11)13(18)10-8-16(9-10)14(19)12-2-1-7-20-12/h1-2,7,10-11,17H,3-6,8-9H2
InChIKeyGNQFMDNKKWBSON-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.80
Rot. Bonds2

About (4-hydroxypiperidin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone

(4-hydroxypiperidin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone (PubChem CID 52907465) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
PubChem CID52907465
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(4-hydroxypiperidin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
SMILESO=C(c1cccs1)N1CC(C(=O)N2CCC(O)CC2)C1
InChIInChI=1S/C14H18N2O3S/c17-11-3-5-15(6-4-11)13(18)10-8-16(9-10)14(19)12-2-1-7-20-12/h1-2,7,10-11,17H,3-6,8-9H2
InChIKeyGNQFMDNKKWBSON-UHFFFAOYSA-N
XLogP0.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone (CID 52907465) is (4-hydroxypiperidin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone is O=C(c1cccs1)N1CC(C(=O)N2CCC(O)CC2)C1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?
The InChIKey is GNQFMDNKKWBSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-11-3-5-15(6-4-11)13(18)10-8-16(9-10)14(19)12-2-1-7-20-12/h1-2,7,10-11,17H,3-6,8-9H2.
What are the key properties of (4-hydroxypiperidin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?
(4-hydroxypiperidin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone has a molecular weight of 294.38 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone is sourced from PubChem (CID 52907465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).