2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

C25H24FN3O2S — CID 55410498

IUPAC2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESO=C(CN1CCC(c2nc3ccccc3o2)CC1)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C25H24FN3O2S/c26-19-9-7-17(8-10-19)24(22-6-3-15-32-22)28-23(30)16-29-13-11-18(12-14-29)25-27-20-4-1-2-5-21(20)31-25/h1-10,15,18,24H,11-14,16H2,(H,28,30)
InChIKeyIIVYCTGALDMSAU-UHFFFAOYSA-N
MW449.55 g/mol
LogP5.11
Rot. Bonds6

About 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 55410498) has the molecular formula C25H24FN3O2S and a molecular weight of 449.55 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID55410498
Molecular FormulaC25H24FN3O2S
Molecular Weight449.55 g/mol
Exact Mass449.16
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESO=C(CN1CCC(c2nc3ccccc3o2)CC1)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C25H24FN3O2S/c26-19-9-7-17(8-10-19)24(22-6-3-15-32-22)28-23(30)16-29-13-11-18(12-14-29)25-27-20-4-1-2-5-21(20)31-25/h1-10,15,18,24H,11-14,16H2,(H,28,30)
InChIKeyIIVYCTGALDMSAU-UHFFFAOYSA-N
XLogP5.11
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide with MolForge

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Related Compounds

methyl 1-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754723
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 43036024
N-(4-fluorophenyl)-2-[4-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30622575
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide
CID 55354119
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 46571477
4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 10316831
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxamide
CID 8557507
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 55354087
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9006398
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 55875167
4-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 38202837
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8623450

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (CID 55410498) is 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is O=C(CN1CCC(c2nc3ccccc3o2)CC1)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is IIVYCTGALDMSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2S/c26-19-9-7-17(8-10-19)24(22-6-3-15-32-22)28-23(30)16-29-13-11-18(12-14-29)25-27-20-4-1-2-5-21(20)31-25/h1-10,15,18,24H,11-14,16H2,(H,28,30).
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 449.55 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 55410498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).