N-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide

C25H23ClN4O3 — CID 59559610

IUPACN-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide
SMILESO=C(NCC(=O)N1CCN(C(=O)c2cccnc2Cl)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H23ClN4O3/c26-23-21(7-4-12-27-23)25(33)30-15-13-29(14-16-30)22(31)17-28-24(32)20-10-8-19(9-11-20)18-5-2-1-3-6-18/h1-12H,13-17H2,(H,28,32)
InChIKeyJBIXWMLFMAPHPA-UHFFFAOYSA-N
MW462.94 g/mol
LogP3.12
Rot. Bonds5

About N-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide

N-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide (PubChem CID 59559610) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is N-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide
PubChem CID59559610
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC NameN-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide
SMILESO=C(NCC(=O)N1CCN(C(=O)c2cccnc2Cl)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H23ClN4O3/c26-23-21(7-4-12-27-23)25(33)30-15-13-29(14-16-30)22(31)17-28-24(32)20-10-8-19(9-11-20)18-5-2-1-3-6-18/h1-12H,13-17H2,(H,28,32)
InChIKeyJBIXWMLFMAPHPA-UHFFFAOYSA-N
XLogP3.12
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide
CID 35857881
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-5-phenylpyridine-2-carboxamide
CID 25164925
N-[2-[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108545003
1-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 60637351
4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 59559602
1-[2-[(4-phenylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 36929560
N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108543980
2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 8891065
4-fluoro-N-[2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 112815473
4-(3-nitrophenyl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 59559663

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide (CID 59559610) is N-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide is O=C(NCC(=O)N1CCN(C(=O)c2cccnc2Cl)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is JBIXWMLFMAPHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c26-23-21(7-4-12-27-23)25(33)30-15-13-29(14-16-30)22(31)17-28-24(32)20-10-8-19(9-11-20)18-5-2-1-3-6-18/h1-12H,13-17H2,(H,28,32).
What are the key properties of N-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide?
N-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 462.94 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide is sourced from PubChem (CID 59559610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).