1-[4-(3-morpholin-4-ylpiperidine-1-carbonyl)thiophen-2-yl]ethanone

C16H22N2O3S — CID 45171914

IUPAC1-[4-(3-morpholin-4-ylpiperidine-1-carbonyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCCC(N3CCOCC3)C2)cs1
InChIInChI=1S/C16H22N2O3S/c1-12(19)15-9-13(11-22-15)16(20)18-4-2-3-14(10-18)17-5-7-21-8-6-17/h9,11,14H,2-8,10H2,1H3
InChIKeyULVJMBMPDMAJIM-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.89
Rot. Bonds3

About 1-[4-(3-morpholin-4-ylpiperidine-1-carbonyl)thiophen-2-yl]ethanone

1-[4-(3-morpholin-4-ylpiperidine-1-carbonyl)thiophen-2-yl]ethanone (PubChem CID 45171914) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[4-(3-morpholin-4-ylpiperidine-1-carbonyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-morpholin-4-ylpiperidine-1-carbonyl)thiophen-2-yl]ethanone
PubChem CID45171914
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-[4-(3-morpholin-4-ylpiperidine-1-carbonyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCCC(N3CCOCC3)C2)cs1
InChIInChI=1S/C16H22N2O3S/c1-12(19)15-9-13(11-22-15)16(20)18-4-2-3-14(10-18)17-5-7-21-8-6-17/h9,11,14H,2-8,10H2,1H3
InChIKeyULVJMBMPDMAJIM-UHFFFAOYSA-N
XLogP1.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-morpholin-4-ylpiperidine-1-carbonyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-(3-morpholin-4-ylpiperidine-1-carbonyl)thiophen-2-yl]ethanone (CID 45171914) is 1-[4-(3-morpholin-4-ylpiperidine-1-carbonyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-(3-morpholin-4-ylpiperidine-1-carbonyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-(3-morpholin-4-ylpiperidine-1-carbonyl)thiophen-2-yl]ethanone is CC(=O)c1cc(C(=O)N2CCCC(N3CCOCC3)C2)cs1.
What is the InChIKey of 1-[4-(3-morpholin-4-ylpiperidine-1-carbonyl)thiophen-2-yl]ethanone?
The InChIKey is ULVJMBMPDMAJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12(19)15-9-13(11-22-15)16(20)18-4-2-3-14(10-18)17-5-7-21-8-6-17/h9,11,14H,2-8,10H2,1H3.
What are the key properties of 1-[4-(3-morpholin-4-ylpiperidine-1-carbonyl)thiophen-2-yl]ethanone?
1-[4-(3-morpholin-4-ylpiperidine-1-carbonyl)thiophen-2-yl]ethanone has a molecular weight of 322.43 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-morpholin-4-ylpiperidine-1-carbonyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 45171914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).