1-(1,3-benzoxazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C18H19N3O2S — CID 3244003

IUPAC1-(1,3-benzoxazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CCCN(c2nc3ccccc3o2)C1
InChIInChI=1S/C18H19N3O2S/c22-17(19-11-14-6-4-10-24-14)13-5-3-9-21(12-13)18-20-15-7-1-2-8-16(15)23-18/h1-2,4,6-8,10,13H,3,5,9,11-12H2,(H,19,22)
InChIKeyCUXRLQKHSUDMCZ-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.42
Rot. Bonds4

About 1-(1,3-benzoxazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

1-(1,3-benzoxazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 3244003) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID3244003
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CCCN(c2nc3ccccc3o2)C1
InChIInChI=1S/C18H19N3O2S/c22-17(19-11-14-6-4-10-24-14)13-5-3-9-21(12-13)18-20-15-7-1-2-8-16(15)23-18/h1-2,4,6-8,10,13H,3,5,9,11-12H2,(H,19,22)
InChIKeyCUXRLQKHSUDMCZ-UHFFFAOYSA-N
XLogP3.42
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 3244003) is 1-(1,3-benzoxazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccs1)C1CCCN(c2nc3ccccc3o2)C1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is CUXRLQKHSUDMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-17(19-11-14-6-4-10-24-14)13-5-3-9-21(12-13)18-20-15-7-1-2-8-16(15)23-18/h1-2,4,6-8,10,13H,3,5,9,11-12H2,(H,19,22).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 3244003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).