2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide

C19H22ClN4O2+ — CID 9226247

IUPAC2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1Cl
InChIInChI=1S/C19H21ClN4O2/c20-17-4-2-1-3-16(17)19(26)22-13-18(25)24-11-9-23(10-12-24)14-15-5-7-21-8-6-15/h1-8H,9-14H2,(H,22,26)/p+1
InChIKeyDZZYMOYBVVPKDD-UHFFFAOYSA-O
MW373.86 g/mol
LogP0.39
Rot. Bonds5

About 2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide

2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide (PubChem CID 9226247) has the molecular formula C19H22ClN4O2+ and a molecular weight of 373.86 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide
PubChem CID9226247
Molecular FormulaC19H22ClN4O2+
Molecular Weight373.86 g/mol
Exact Mass373.14
IUPAC Name2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1Cl
InChIInChI=1S/C19H21ClN4O2/c20-17-4-2-1-3-16(17)19(26)22-13-18(25)24-11-9-23(10-12-24)14-15-5-7-21-8-6-15/h1-8H,9-14H2,(H,22,26)/p+1
InChIKeyDZZYMOYBVVPKDD-UHFFFAOYSA-O
XLogP0.39
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide
CID 9226177
N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-2-chlorobenzamide
CID 7964636
N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 2106254
N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide
CID 9226163
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 8891065
3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 112695851
N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-bromobenzamide
CID 2420335
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806
2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]acetamide
CID 9226367
(E)-3-(2,6-dichlorophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one
CID 9226481
2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958295

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide (CID 9226247) is 2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide is O=C(NCC(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide?
The InChIKey is DZZYMOYBVVPKDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21ClN4O2/c20-17-4-2-1-3-16(17)19(26)22-13-18(25)24-11-9-23(10-12-24)14-15-5-7-21-8-6-15/h1-8H,9-14H2,(H,22,26)/p+1.
What are the key properties of 2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide?
2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide has a molecular weight of 373.86 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide is sourced from PubChem (CID 9226247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).