N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide

C19H20ClN3O3 — CID 88975994

IUPACN-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
SMILESO=C(NCC(=O)N1CCN(Cl)CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H20ClN3O3/c20-23-12-10-22(11-13-23)18(24)14-21-19(25)15-6-8-17(9-7-15)26-16-4-2-1-3-5-16/h1-9H,10-14H2,(H,21,25)
InChIKeyLVGSABCVACBXPG-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.51
Rot. Bonds5

About N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide

N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide (PubChem CID 88975994) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
PubChem CID88975994
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
SMILESO=C(NCC(=O)N1CCN(Cl)CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H20ClN3O3/c20-23-12-10-22(11-13-23)18(24)14-21-19(25)15-6-8-17(9-7-15)26-16-4-2-1-3-5-16/h1-9H,10-14H2,(H,21,25)
InChIKeyLVGSABCVACBXPG-UHFFFAOYSA-N
XLogP2.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 27671405
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide
CID 30580744
phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate
CID 110803551
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353
[2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 9348238
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide
CID 46653980
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 7923150
1-[2-[(4-phenylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 36929560
5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 175926864

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide (CID 88975994) is N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide is O=C(NCC(=O)N1CCN(Cl)CC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide?
The InChIKey is LVGSABCVACBXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-23-12-10-22(11-13-23)18(24)14-21-19(25)15-6-8-17(9-7-15)26-16-4-2-1-3-5-16/h1-9H,10-14H2,(H,21,25).
What are the key properties of N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide?
N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide has a molecular weight of 373.84 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide is sourced from PubChem (CID 88975994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).