N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide

C21H24FN3O3 — CID 97269258

IUPACN-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide
SMILESCc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(C(=O)c2ncccc2O)C1
InChIInChI=1S/C21H24FN3O3/c1-14-12-16(22)7-8-17(14)24-19(27)9-6-15-4-3-11-25(13-15)21(28)20-18(26)5-2-10-23-20/h2,5,7-8,10,12,15,26H,3-4,6,9,11,13H2,1H3,(H,24,27)/t15-/m1/s1
InChIKeyAHSOTLIJDQJEHA-OAHLLOKOSA-N
MW385.44 g/mol
LogP3.51
Rot. Bonds5

About N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide

N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide (PubChem CID 97269258) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide
PubChem CID97269258
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide
SMILESCc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(C(=O)c2ncccc2O)C1
InChIInChI=1S/C21H24FN3O3/c1-14-12-16(22)7-8-17(14)24-19(27)9-6-15-4-3-11-25(13-15)21(28)20-18(26)5-2-10-23-20/h2,5,7-8,10,12,15,26H,3-4,6,9,11,13H2,1H3,(H,24,27)/t15-/m1/s1
InChIKeyAHSOTLIJDQJEHA-OAHLLOKOSA-N
XLogP3.51
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)-3-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45207440
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-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]propanamide
CID 42392284
3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 25302828
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 95542975
3-[1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45179339
3-[(3S)-1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 42286411
N-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide
CID 72857419
N-(4-fluoro-2-methylphenyl)-3-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]propanamide
CID 45183724
3-[1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45243077
3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45191137

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide (CID 97269258) is N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide is Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(C(=O)c2ncccc2O)C1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is AHSOTLIJDQJEHA-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-14-12-16(22)7-8-17(14)24-19(27)9-6-15-4-3-11-25(13-15)21(28)20-18(26)5-2-10-23-20/h2,5,7-8,10,12,15,26H,3-4,6,9,11,13H2,1H3,(H,24,27)/t15-/m1/s1.
What are the key properties of N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide?
N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 385.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 97269258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).