3-[(3R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide

C21H28FN3O2 — CID 97275001

IUPAC3-[(3R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
SMILESCCc1cc(CN2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)on1
InChIInChI=1S/C21H28FN3O2/c1-3-18-12-19(27-24-18)14-25-10-4-5-16(13-25)6-9-21(26)23-20-8-7-17(22)11-15(20)2/h7-8,11-12,16H,3-6,9-10,13-14H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyMODHPCMQXXERQM-MRXNPFEDSA-N
MW373.47 g/mol
LogP4.32
Rot. Bonds7

About 3-[(3R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide

3-[(3R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide (PubChem CID 97275001) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 3-[(3R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
PubChem CID97275001
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name3-[(3R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
SMILESCCc1cc(CN2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)on1
InChIInChI=1S/C21H28FN3O2/c1-3-18-12-19(27-24-18)14-25-10-4-5-16(13-25)6-9-21(26)23-20-8-7-17(22)11-15(20)2/h7-8,11-12,16H,3-6,9-10,13-14H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyMODHPCMQXXERQM-MRXNPFEDSA-N
XLogP4.32
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 25364986
3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45191137
3-[(3S)-1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 42286411
3-[1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45179339
3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 42241549
3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 97269318
3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45241928
3-[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 26410657
N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide
CID 97269258
N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide
CID 26411235
N-(4-fluoro-2-methylphenyl)-3-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]propanamide
CID 42392284
N-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide
CID 72857419

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 3-[(3R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide (CID 97275001) is 3-[(3R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[(3R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 3-[(3R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide is CCc1cc(CN2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)on1.
What is the InChIKey of 3-[(3R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
The InChIKey is MODHPCMQXXERQM-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-3-18-12-19(27-24-18)14-25-10-4-5-16(13-25)6-9-21(26)23-20-8-7-17(22)11-15(20)2/h7-8,11-12,16H,3-6,9-10,13-14H2,1-2H3,(H,23,26)/t16-/m1/s1.
What are the key properties of 3-[(3R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
3-[(3R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide has a molecular weight of 373.47 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 97275001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).