N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide

C19H23FN4O — CID 51087134

IUPACN-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C19H23FN4O/c1-15(19(25)22-18-6-2-5-17(20)12-18)24-10-8-23(9-11-24)14-16-4-3-7-21-13-16/h2-7,12-13,15H,8-11,14H2,1H3,(H,22,25)
InChIKeyCTDJYLWMMAWXDC-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.37
Rot. Bonds5

About N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide

N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 51087134) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide
PubChem CID51087134
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC NameN-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C19H23FN4O/c1-15(19(25)22-18-6-2-5-17(20)12-18)24-10-8-23(9-11-24)14-16-4-3-7-21-13-16/h2-7,12-13,15H,8-11,14H2,1H3,(H,22,25)
InChIKeyCTDJYLWMMAWXDC-UHFFFAOYSA-N
XLogP2.37
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide
CID 55841391
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 120902801
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 55843314
2-[4-[2-(3-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 55841889
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680
(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 9249876
2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 46630888
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9433613
N-cyclopropyl-2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 46681642
(2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30737874
(2R)-2-[4-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401574
(2R)-2-[4-[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401572

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide (CID 51087134) is N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide is CC(C(=O)Nc1cccc(F)c1)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is CTDJYLWMMAWXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-15(19(25)22-18-6-2-5-17(20)12-18)24-10-8-23(9-11-24)14-16-4-3-7-21-13-16/h2-7,12-13,15H,8-11,14H2,1H3,(H,22,25).
What are the key properties of N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide?
N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 342.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 51087134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).