2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethylamino]benzamide;hydrochloride

C21H29ClN4O — CID 3050159

IUPAC2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethylamino]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccccc1NCCN1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H28N4O.ClH/c22-21(26)19-8-4-5-9-20(19)23-11-13-25-16-14-24(15-17-25)12-10-18-6-2-1-3-7-18;/h1-9,23H,10-17H2,(H2,22,26);1H
InChIKeyYNSJBKUCDKNTTB-UHFFFAOYSA-N
MW388.94 g/mol
LogP2.48
Rot. Bonds8

About 2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethylamino]benzamide;hydrochloride

2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethylamino]benzamide;hydrochloride (PubChem CID 3050159) has the molecular formula C21H29ClN4O and a molecular weight of 388.94 g/mol. Its IUPAC name is 2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethylamino]benzamide;hydrochloride.

Molecular Properties

Compound Name2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethylamino]benzamide;hydrochloride
PubChem CID3050159
Molecular FormulaC21H29ClN4O
Molecular Weight388.94 g/mol
Exact Mass388.20
IUPAC Name2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethylamino]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccccc1NCCN1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H28N4O.ClH/c22-21(26)19-8-4-5-9-20(19)23-11-13-25-16-14-24(15-17-25)12-10-18-6-2-1-3-7-18;/h1-9,23H,10-17H2,(H2,22,26);1H
InChIKeyYNSJBKUCDKNTTB-UHFFFAOYSA-N
XLogP2.48
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethylamino]benzamide;hydrochloride?
The IUPAC name of 2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethylamino]benzamide;hydrochloride (CID 3050159) is 2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethylamino]benzamide;hydrochloride.
What is the SMILES notation for 2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethylamino]benzamide;hydrochloride?
The canonical SMILES for 2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethylamino]benzamide;hydrochloride is Cl.NC(=O)c1ccccc1NCCN1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethylamino]benzamide;hydrochloride?
The InChIKey is YNSJBKUCDKNTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O.ClH/c22-21(26)19-8-4-5-9-20(19)23-11-13-25-16-14-24(15-17-25)12-10-18-6-2-1-3-7-18;/h1-9,23H,10-17H2,(H2,22,26);1H.
What are the key properties of 2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethylamino]benzamide;hydrochloride?
2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethylamino]benzamide;hydrochloride has a molecular weight of 388.94 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethylamino]benzamide;hydrochloride is sourced from PubChem (CID 3050159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).