N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide

C23H28FN3O2 — CID 110625525

IUPACN-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide
SMILESCC(NC(=O)CCc1ccccc1F)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28FN3O2/c1-18(25-22(28)12-11-20-9-5-6-10-21(20)24)23(29)27-15-13-26(14-16-27)17-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3,(H,25,28)
InChIKeyUJQGHBAMFYQVCJ-UHFFFAOYSA-N
MW397.49 g/mol
LogP2.61
Rot. Bonds7

About N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide

N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide (PubChem CID 110625525) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide
PubChem CID110625525
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide
SMILESCC(NC(=O)CCc1ccccc1F)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28FN3O2/c1-18(25-22(28)12-11-20-9-5-6-10-21(20)24)23(29)27-15-13-26(14-16-27)17-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3,(H,25,28)
InChIKeyUJQGHBAMFYQVCJ-UHFFFAOYSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
CID 110285473
N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide
CID 110348001
(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 9041528
1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110412011
(2S)-1-(4-benzylpiperazin-1-yl)-2-(4-chloroanilino)propan-1-one
CID 7928563
[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 22016527
N-[(2S)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 31279747
N-butan-2-yl-2-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]acetamide
CID 134043855
(3S)-4-(4-benzylpiperazin-1-yl)-3-[3-(2,4-dihydroxyphenyl)propanoylamino]-4-oxobutanamide;hydrochloride
CID 18643647
3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 4869354
1-(4-benzylpiperazin-1-yl)-2-methylpropan-1-one;methane;2-methyl-1-piperidin-1-ylpropan-1-one
CID 161283045
[1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 112764706

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide (CID 110625525) is N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide is CC(NC(=O)CCc1ccccc1F)C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide?
The InChIKey is UJQGHBAMFYQVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-18(25-22(28)12-11-20-9-5-6-10-21(20)24)23(29)27-15-13-26(14-16-27)17-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3,(H,25,28).
What are the key properties of N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide?
N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide has a molecular weight of 397.49 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 110625525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).