1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide

C14H16FN3O2 — CID 171704264

IUPAC1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2noc3ccc(F)cc23)CC1
InChIInChI=1S/C14H16FN3O2/c15-10-1-2-13-11(7-10)12(17-20-13)8-18-5-3-9(4-6-18)14(16)19/h1-2,7,9H,3-6,8H2,(H2,16,19)
InChIKeyROUPGXSZAFPFPQ-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.66
Rot. Bonds3

About 1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide

1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 171704264) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID171704264
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2noc3ccc(F)cc23)CC1
InChIInChI=1S/C14H16FN3O2/c15-10-1-2-13-11(7-10)12(17-20-13)8-18-5-3-9(4-6-18)14(16)19/h1-2,7,9H,3-6,8H2,(H2,16,19)
InChIKeyROUPGXSZAFPFPQ-UHFFFAOYSA-N
XLogP1.66
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
CID 171996239
2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 171996006
1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 50757562
1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16792068
3-(2,3-dihydroindol-1-ylmethyl)-5-fluoro-1,2-benzoxazole
CID 171704666
3-[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]pyrrolidin-3-yl]phenol
CID 155258167
2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide
CID 128759287
1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 175878823
1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide
CID 43312913
1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid
CID 119906674
1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]piperidine-4-carboxamide
CID 35267203
1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide
CID 9443132

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide (CID 171704264) is 1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2noc3ccc(F)cc23)CC1.
What is the InChIKey of 1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ROUPGXSZAFPFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c15-10-1-2-13-11(7-10)12(17-20-13)8-18-5-3-9(4-6-18)14(16)19/h1-2,7,9H,3-6,8H2,(H2,16,19).
What are the key properties of 1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide?
1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 171704264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).