3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide

C14H19FN2O — CID 95715360

IUPAC3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide
SMILESNC(=O)CCN1CCCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c15-12-6-4-11(5-7-12)13-3-1-2-9-17(13)10-8-14(16)18/h4-7,13H,1-3,8-10H2,(H2,16,18)/t13-/m0/s1
InChIKeyRBAQHQBQHCHJPU-ZDUSSCGKSA-N
MW250.32 g/mol
LogP2.23
Rot. Bonds4

About 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide

3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide (PubChem CID 95715360) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide
PubChem CID95715360
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide
SMILESNC(=O)CCN1CCCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c15-12-6-4-11(5-7-12)13-3-1-2-9-17(13)10-8-14(16)18/h4-7,13H,1-3,8-10H2,(H2,16,18)/t13-/m0/s1
InChIKeyRBAQHQBQHCHJPU-ZDUSSCGKSA-N
XLogP2.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95894518
3-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 95120065
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide
CID 94819890
(2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine
CID 95727213
2-[4-[(2S)-2-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97142895
3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide
CID 91843072
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 94616401
2-(4-fluorophenyl)-1-(2-methylpropyl)azepane
CID 90816221
2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol
CID 95719841

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide?
The IUPAC name of 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide (CID 95715360) is 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide.
What is the SMILES notation for 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide?
The canonical SMILES for 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide is NC(=O)CCN1CCCC[C@H]1c1ccc(F)cc1.
What is the InChIKey of 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide?
The InChIKey is RBAQHQBQHCHJPU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-12-6-4-11(5-7-12)13-3-1-2-9-17(13)10-8-14(16)18/h4-7,13H,1-3,8-10H2,(H2,16,18)/t13-/m0/s1.
What are the key properties of 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide?
3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide has a molecular weight of 250.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 95715360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).