N-[1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide

C24H25ClN4O3 — CID 4786863

IUPACN-[1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide
SMILESCC(=O)N1CCN(C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C24H25ClN4O3/c1-16(30)28-10-12-29(13-11-28)24(32)22(27-23(31)19-7-2-4-8-20(19)25)14-17-15-26-21-9-5-3-6-18(17)21/h2-9,15,22,26H,10-14H2,1H3,(H,27,31)
InChIKeyCEULVMKRVDQYQJ-UHFFFAOYSA-N
MW452.94 g/mol
LogP2.85
Rot. Bonds5

About N-[1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide

N-[1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide (PubChem CID 4786863) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is N-[1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide
PubChem CID4786863
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC NameN-[1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide
SMILESCC(=O)N1CCN(C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C24H25ClN4O3/c1-16(30)28-10-12-29(13-11-28)24(32)22(27-23(31)19-7-2-4-8-20(19)25)14-17-15-26-21-9-5-3-6-18(17)21/h2-9,15,22,26H,10-14H2,1H3,(H,27,31)
InChIKeyCEULVMKRVDQYQJ-UHFFFAOYSA-N
XLogP2.85
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide?
The IUPAC name of N-[1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide (CID 4786863) is N-[1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide?
The canonical SMILES for N-[1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide is CC(=O)N1CCN(C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of N-[1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide?
The InChIKey is CEULVMKRVDQYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3/c1-16(30)28-10-12-29(13-11-28)24(32)22(27-23(31)19-7-2-4-8-20(19)25)14-17-15-26-21-9-5-3-6-18(17)21/h2-9,15,22,26H,10-14H2,1H3,(H,27,31).
What are the key properties of N-[1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide?
N-[1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide has a molecular weight of 452.94 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide is sourced from PubChem (CID 4786863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).