4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one

C19H27FN2O2 — CID 147207500

IUPAC4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one
SMILESCC(CC(=O)Cc1ccc(F)cc1)C1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C19H27FN2O2/c1-13(11-18(23)12-15-3-5-17(20)6-4-15)16-7-9-22(10-8-16)19(24)14(2)21/h3-6,13-14,16H,7-12,21H2,1-2H3/t13?,14-/m0/s1
InChIKeyCEODGFZMLGMRJK-KZUDCZAMSA-N
MW334.44 g/mol
LogP2.55
Rot. Bonds6

About 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one

4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one (PubChem CID 147207500) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one.

Molecular Properties

Compound Name4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one
PubChem CID147207500
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one
SMILESCC(CC(=O)Cc1ccc(F)cc1)C1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C19H27FN2O2/c1-13(11-18(23)12-15-3-5-17(20)6-4-15)16-7-9-22(10-8-16)19(24)14(2)21/h3-6,13-14,16H,7-12,21H2,1-2H3/t13?,14-/m0/s1
InChIKeyCEODGFZMLGMRJK-KZUDCZAMSA-N
XLogP2.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(1-methylpyrazol-3-yl)butan-1-one
CID 160603771
4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one
CID 147903120
3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one
CID 159740350
5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one
CID 152901113
3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one
CID 159889449
3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(1-methylimidazol-2-yl)butan-1-one
CID 158996050
2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 110725389
1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one
CID 162228825
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 119767330
3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one
CID 158448684
1-(4-fluorophenyl)-4-methylheptan-2-one
CID 62622075

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one?
The IUPAC name of 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one (CID 147207500) is 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one.
What is the SMILES notation for 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one?
The canonical SMILES for 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one is CC(CC(=O)Cc1ccc(F)cc1)C1CCN(C(=O)[C@H](C)N)CC1.
What is the InChIKey of 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one?
The InChIKey is CEODGFZMLGMRJK-KZUDCZAMSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-13(11-18(23)12-15-3-5-17(20)6-4-15)16-7-9-22(10-8-16)19(24)14(2)21/h3-6,13-14,16H,7-12,21H2,1-2H3/t13?,14-/m0/s1.
What are the key properties of 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one?
4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one has a molecular weight of 334.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one is sourced from PubChem (CID 147207500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).