N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide

C24H31FN4O2 — CID 8719392

IUPACN-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide
SMILESCCC[C@@H](NC(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H31FN4O2/c1-2-6-22(19-7-4-3-5-8-19)27-24(31)18-29-15-13-28(14-16-29)17-23(30)26-21-11-9-20(25)10-12-21/h3-5,7-12,22H,2,6,13-18H2,1H3,(H,26,30)(H,27,31)/t22-/m1/s1
InChIKeySAKGWGNRSRBGIZ-JOCHJYFZSA-N
MW426.54 g/mol
LogP3.04
Rot. Bonds9

About N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide (PubChem CID 8719392) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide
PubChem CID8719392
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC NameN-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide
SMILESCCC[C@@H](NC(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H31FN4O2/c1-2-6-22(19-7-4-3-5-8-19)27-24(31)18-29-15-13-28(14-16-29)17-23(30)26-21-11-9-20(25)10-12-21/h3-5,7-12,22H,2,6,13-18H2,1H3,(H,26,30)(H,27,31)/t22-/m1/s1
InChIKeySAKGWGNRSRBGIZ-JOCHJYFZSA-N
XLogP3.04
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[4-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719352
N-(4-fluorophenyl)-2-[4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719356
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]azanium
CID 9348221
2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide
CID 79322712
2-(1,4-diazepan-1-yl)-N-(1-phenylbutyl)acetamide
CID 62838472
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346721
N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 17470308
(2R)-N-benzhydryl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30628505
N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719254
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9347122
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 86911679
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346590

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide (CID 8719392) is N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide is CCC[C@@H](NC(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide?
The InChIKey is SAKGWGNRSRBGIZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-2-6-22(19-7-4-3-5-8-19)27-24(31)18-29-15-13-28(14-16-29)17-23(30)26-21-11-9-20(25)10-12-21/h3-5,7-12,22H,2,6,13-18H2,1H3,(H,26,30)(H,27,31)/t22-/m1/s1.
What are the key properties of N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide has a molecular weight of 426.54 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8719392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).