3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide

C22H26Cl2N4O2 — CID 24596426

IUPAC3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
SMILESO=C(CN1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1)NCc1ccccc1
InChIInChI=1S/C22H26Cl2N4O2/c23-18-7-4-8-19(24)22(18)26-20(29)9-10-27-11-13-28(14-12-27)16-21(30)25-15-17-5-2-1-3-6-17/h1-8H,9-16H2,(H,25,30)(H,26,29)
InChIKeyLNMFSCZHWLSGRP-UHFFFAOYSA-N
MW449.38 g/mol
LogP3.26
Rot. Bonds8

About 3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide

3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide (PubChem CID 24596426) has the molecular formula C22H26Cl2N4O2 and a molecular weight of 449.38 g/mol. Its IUPAC name is 3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
PubChem CID24596426
Molecular FormulaC22H26Cl2N4O2
Molecular Weight449.38 g/mol
Exact Mass448.14
IUPAC Name3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
SMILESO=C(CN1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1)NCc1ccccc1
InChIInChI=1S/C22H26Cl2N4O2/c23-18-7-4-8-19(24)22(18)26-20(29)9-10-27-11-13-28(14-12-27)16-21(30)25-15-17-5-2-1-3-6-17/h1-8H,9-16H2,(H,25,30)(H,26,29)
InChIKeyLNMFSCZHWLSGRP-UHFFFAOYSA-N
XLogP3.26
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
CID 2697466
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 24589425
N-benzyl-2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487883
2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
CID 17487617
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
N-(2,6-dichlorophenyl)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24589344
N-benzyl-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260179
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 46551381
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 6467232

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide (CID 24596426) is 3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide is O=C(CN1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1)NCc1ccccc1.
What is the InChIKey of 3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is LNMFSCZHWLSGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O2/c23-18-7-4-8-19(24)22(18)26-20(29)9-10-27-11-13-28(14-12-27)16-21(30)25-15-17-5-2-1-3-6-17/h1-8H,9-16H2,(H,25,30)(H,26,29).
What are the key properties of 3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide?
3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 449.38 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 24596426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).