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

C16H23FN2O — CID 99776078

IUPAC3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCC[C@@H]1CCCNC1
InChIInChI=1S/C16H23FN2O/c17-15-6-3-13(4-7-15)5-8-16(20)19-11-9-14-2-1-10-18-12-14/h3-4,6-7,14,18H,1-2,5,8-12H2,(H,19,20)/t14-/m0/s1
InChIKeyGOSSMRLODXEZTR-AWEZNQCLSA-N
MW278.37 g/mol
LogP2.26
Rot. Bonds6

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

3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide (PubChem CID 99776078) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
PubChem CID99776078
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCC[C@@H]1CCCNC1
InChIInChI=1S/C16H23FN2O/c17-15-6-3-13(4-7-15)5-8-16(20)19-11-9-14-2-1-10-18-12-14/h3-4,6-7,14,18H,1-2,5,8-12H2,(H,19,20)/t14-/m0/s1
InChIKeyGOSSMRLODXEZTR-AWEZNQCLSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534078
N-(2-piperidin-3-ylethyl)-3-thiophen-3-ylpropanamide;hydrochloride
CID 119555094
N-(2-piperidin-3-ylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119555682
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 91660400
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556859
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide
CID 119556464
3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 126844820
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide (CID 99776078) is 3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide is O=C(CCc1ccc(F)cc1)NCC[C@@H]1CCCNC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide?
The InChIKey is GOSSMRLODXEZTR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23FN2O/c17-15-6-3-13(4-7-15)5-8-16(20)19-11-9-14-2-1-10-18-12-14/h3-4,6-7,14,18H,1-2,5,8-12H2,(H,19,20)/t14-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide?
3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide has a molecular weight of 278.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide is sourced from PubChem (CID 99776078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).