4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide

C21H27FN4O — CID 10571202

IUPAC4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide
SMILESNCCC(C(=O)NCc1ccc(F)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)16-24-21(27)20(10-11-23)26-14-12-25(13-15-26)19-4-2-1-3-5-19/h1-9,20H,10-16,23H2,(H,24,27)
InChIKeyQLJICRSKBJKMEN-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.98
Rot. Bonds7

About 4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide

4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide (PubChem CID 10571202) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide
PubChem CID10571202
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide
SMILESNCCC(C(=O)NCc1ccc(F)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)16-24-21(27)20(10-11-23)26-14-12-25(13-15-26)19-4-2-1-3-5-19/h1-9,20H,10-16,23H2,(H,24,27)
InChIKeyQLJICRSKBJKMEN-UHFFFAOYSA-N
XLogP1.98
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide
CID 82679395
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46043603
N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 42858918
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250304
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40680683
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-hydroxy-N-[(4-methylphenyl)methyl]butanamide
CID 51031485
1-[(4-fluorophenyl)methyl]-3-[1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]urea
CID 42883941
3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 133241481
N-[(3,4-dimethoxyphenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)-2-(4-phenylpiperazin-1-yl)butanamide
CID 10816319

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide?
The IUPAC name of 4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide (CID 10571202) is 4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide.
What is the SMILES notation for 4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide?
The canonical SMILES for 4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide is NCCC(C(=O)NCc1ccc(F)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide?
The InChIKey is QLJICRSKBJKMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)16-24-21(27)20(10-11-23)26-14-12-25(13-15-26)19-4-2-1-3-5-19/h1-9,20H,10-16,23H2,(H,24,27).
What are the key properties of 4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide?
4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide has a molecular weight of 370.47 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide is sourced from PubChem (CID 10571202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).