4-fluoro-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide

C26H32FN3O3 — CID 42707402

IUPAC4-fluoro-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCCCCC(=O)N1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccc(F)cc2)CC1C
InChIInChI=1S/C26H32FN3O3/c1-3-4-10-24(31)30-16-15-29(18-19(30)2)26(33)23(17-20-8-6-5-7-9-20)28-25(32)21-11-13-22(27)14-12-21/h5-9,11-14,19,23H,3-4,10,15-18H2,1-2H3,(H,28,32)
InChIKeyIUAUEZGCAUFMLF-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.42
Rot. Bonds8

About 4-fluoro-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide

4-fluoro-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 42707402) has the molecular formula C26H32FN3O3 and a molecular weight of 453.56 g/mol. Its IUPAC name is 4-fluoro-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID42707402
Molecular FormulaC26H32FN3O3
Molecular Weight453.56 g/mol
Exact Mass453.24
IUPAC Name4-fluoro-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCCCCC(=O)N1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccc(F)cc2)CC1C
InChIInChI=1S/C26H32FN3O3/c1-3-4-10-24(31)30-16-15-29(18-19(30)2)26(33)23(17-20-8-6-5-7-9-20)28-25(32)21-11-13-22(27)14-12-21/h5-9,11-14,19,23H,3-4,10,15-18H2,1-2H3,(H,28,32)
InChIKeyIUAUEZGCAUFMLF-UHFFFAOYSA-N
XLogP3.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 42707480
4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide
CID 42707549
3,3-dimethyl-N-[1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 42707484
4-chloro-N-[(2R)-1-[(3R)-4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 98424401
N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42707474
N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 119576791
N-benzyl-4-[2-[(4-butylbenzoyl)amino]-3-(1H-indol-3-yl)propanoyl]-2-methylpiperazine-1-carboxamide
CID 42708602
3,4-dichloro-N-[(2R)-1-[(3S)-4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 98424390
N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51730216
N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide
CID 42703090
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 42707504
1-benzyl-3-[3-methyl-1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxobutan-2-yl]urea
CID 4240009

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide (CID 42707402) is 4-fluoro-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide is CCCCC(=O)N1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccc(F)cc2)CC1C.
What is the InChIKey of 4-fluoro-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is IUAUEZGCAUFMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O3/c1-3-4-10-24(31)30-16-15-29(18-19(30)2)26(33)23(17-20-8-6-5-7-9-20)28-25(32)21-11-13-22(27)14-12-21/h5-9,11-14,19,23H,3-4,10,15-18H2,1-2H3,(H,28,32).
What are the key properties of 4-fluoro-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?
4-fluoro-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 453.56 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 42707402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).