(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide

C13H18FN3O — CID 28507016

IUPAC(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide
SMILESC[C@@H](C(=O)Nc1cccc(F)c1)N1CCNCC1
InChIInChI=1S/C13H18FN3O/c1-10(17-7-5-15-6-8-17)13(18)16-12-4-2-3-11(14)9-12/h2-4,9-10,15H,5-8H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyCRGIBILRUDDOAP-JTQLQIEISA-N
MW251.30 g/mol
LogP1.06
Rot. Bonds3

About (2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide

(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide (PubChem CID 28507016) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is (2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide
PubChem CID28507016
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide
SMILESC[C@@H](C(=O)Nc1cccc(F)c1)N1CCNCC1
InChIInChI=1S/C13H18FN3O/c1-10(17-7-5-15-6-8-17)13(18)16-12-4-2-3-11(14)9-12/h2-4,9-10,15H,5-8H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyCRGIBILRUDDOAP-JTQLQIEISA-N
XLogP1.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 9249876
2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 46630888
N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583
N-cyclopropyl-2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 46681642
N-(3-fluorophenyl)-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanamide;dihydrochloride
CID 119857286
(2R)-2-[4-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401574
N-(3-fluorophenyl)-2-[4-[1-(2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 60513033
(2R)-2-[4-[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401572
(2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493165
2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 55841512
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9433613
2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 119857243

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide?
The IUPAC name of (2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide (CID 28507016) is (2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for (2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for (2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide is C[C@@H](C(=O)Nc1cccc(F)c1)N1CCNCC1.
What is the InChIKey of (2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide?
The InChIKey is CRGIBILRUDDOAP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18FN3O/c1-10(17-7-5-15-6-8-17)13(18)16-12-4-2-3-11(14)9-12/h2-4,9-10,15H,5-8H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of (2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide?
(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide has a molecular weight of 251.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 28507016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).