3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide

C21H22FN3O2 — CID 31990337

IUPAC3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide
SMILESO=C(CCN1CCC[C@H](c2nc3ccccc3o2)C1)Nc1cccc(F)c1
InChIInChI=1S/C21H22FN3O2/c22-16-6-3-7-17(13-16)23-20(26)10-12-25-11-4-5-15(14-25)21-24-18-8-1-2-9-19(18)27-21/h1-3,6-9,13,15H,4-5,10-12,14H2,(H,23,26)/t15-/m0/s1
InChIKeyZNOCGZQNPSSOAI-HNNXBMFYSA-N
MW367.42 g/mol
LogP4.18
Rot. Bonds5

About 3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide

3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide (PubChem CID 31990337) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide
PubChem CID31990337
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide
SMILESO=C(CCN1CCC[C@H](c2nc3ccccc3o2)C1)Nc1cccc(F)c1
InChIInChI=1S/C21H22FN3O2/c22-16-6-3-7-17(13-16)23-20(26)10-12-25-11-4-5-15(14-25)21-24-18-8-1-2-9-19(18)27-21/h1-3,6-9,13,15H,4-5,10-12,14H2,(H,23,26)/t15-/m0/s1
InChIKeyZNOCGZQNPSSOAI-HNNXBMFYSA-N
XLogP4.18
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)propanamide
CID 46402799
N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 56526384
N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide
CID 95129574
N-(4-chlorophenyl)-3-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 56526395
3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide
CID 55521712
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
N-(3-fluorophenyl)-3-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]propanamide
CID 124513966
2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole
CID 86984025
3-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(3-fluorophenyl)propanamide
CID 71915085
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55680361
tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate
CID 60614622
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 46402825

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide (CID 31990337) is 3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide is O=C(CCN1CCC[C@H](c2nc3ccccc3o2)C1)Nc1cccc(F)c1.
What is the InChIKey of 3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide?
The InChIKey is ZNOCGZQNPSSOAI-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-16-6-3-7-17(13-16)23-20(26)10-12-25-11-4-5-15(14-25)21-24-18-8-1-2-9-19(18)27-21/h1-3,6-9,13,15H,4-5,10-12,14H2,(H,23,26)/t15-/m0/s1.
What are the key properties of 3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide?
3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide has a molecular weight of 367.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 31990337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).