N-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide

C23H25ClFN3O3 — CID 55879539

IUPACN-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClFN3O3/c1-15-3-4-18(13-20(15)25)23(31)28-11-9-27(10-12-28)22(30)14-21(26-16(2)29)17-5-7-19(24)8-6-17/h3-8,13,21H,9-12,14H2,1-2H3,(H,26,29)
InChIKeyWEIYKWQULZQULZ-UHFFFAOYSA-N
MW445.92 g/mol
LogP3.34
Rot. Bonds5

About N-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide

N-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide (PubChem CID 55879539) has the molecular formula C23H25ClFN3O3 and a molecular weight of 445.92 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide
PubChem CID55879539
Molecular FormulaC23H25ClFN3O3
Molecular Weight445.92 g/mol
Exact Mass445.16
IUPAC NameN-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClFN3O3/c1-15-3-4-18(13-20(15)25)23(31)28-11-9-27(10-12-28)22(30)14-21(26-16(2)29)17-5-7-19(24)8-6-17/h3-8,13,21H,9-12,14H2,1-2H3,(H,26,29)
InChIKeyWEIYKWQULZQULZ-UHFFFAOYSA-N
XLogP3.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.92
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide
CID 47008551
3-amino-1-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949487
N-[1-(4-chlorophenyl)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 55902543
N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide
CID 47049586
N-[3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(4-bromophenyl)-3-oxopropyl]acetamide
CID 112800619
N-[3-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 78850066
1-(4-acetylpiperazin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone
CID 60505688
N-[(1R)-1-(4-chlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 26953818
N-[1-(4-chlorophenyl)-3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
CID 119545597
N-[(1R)-1-(4-chlorophenyl)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 25477270
N-[3-oxo-1-phenyl-3-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propyl]acetamide
CID 86989923
N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
CID 119491794

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide (CID 55879539) is N-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is WEIYKWQULZQULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O3/c1-15-3-4-18(13-20(15)25)23(31)28-11-9-27(10-12-28)22(30)14-21(26-16(2)29)17-5-7-19(24)8-6-17/h3-8,13,21H,9-12,14H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide?
N-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 445.92 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 55879539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).