2-benzyl-N,N-diethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide;dihydrochloride

C24H35Cl2N3O2 — CID 142636557

IUPAC2-benzyl-N,N-diethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide;dihydrochloride
SMILESCCN(CC)C(=O)c1cccc(N2CCN(CCO)CC2)c1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C24H33N3O2.2ClH/c1-3-26(4-2)24(29)21-11-8-12-23(22(21)19-20-9-6-5-7-10-20)27-15-13-25(14-16-27)17-18-28;;/h5-12,28H,3-4,13-19H2,1-2H3;2*1H
InChIKeyFMUFNQUMRQVHHW-UHFFFAOYSA-N
MW468.47 g/mol
LogP3.72
Rot. Bonds8

About 2-benzyl-N,N-diethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide;dihydrochloride

2-benzyl-N,N-diethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide;dihydrochloride (PubChem CID 142636557) has the molecular formula C24H35Cl2N3O2 and a molecular weight of 468.47 g/mol. Its IUPAC name is 2-benzyl-N,N-diethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-benzyl-N,N-diethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide;dihydrochloride
PubChem CID142636557
Molecular FormulaC24H35Cl2N3O2
Molecular Weight468.47 g/mol
Exact Mass467.21
IUPAC Name2-benzyl-N,N-diethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide;dihydrochloride
SMILESCCN(CC)C(=O)c1cccc(N2CCN(CCO)CC2)c1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C24H33N3O2.2ClH/c1-3-26(4-2)24(29)21-11-8-12-23(22(21)19-20-9-6-5-7-10-20)27-15-13-25(14-16-27)17-18-28;;/h5-12,28H,3-4,13-19H2,1-2H3;2*1H
InChIKeyFMUFNQUMRQVHHW-UHFFFAOYSA-N
XLogP3.72
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N,N-diethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide;dihydrochloride?
The IUPAC name of 2-benzyl-N,N-diethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide;dihydrochloride (CID 142636557) is 2-benzyl-N,N-diethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide;dihydrochloride.
What is the SMILES notation for 2-benzyl-N,N-diethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide;dihydrochloride?
The canonical SMILES for 2-benzyl-N,N-diethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide;dihydrochloride is CCN(CC)C(=O)c1cccc(N2CCN(CCO)CC2)c1Cc1ccccc1.Cl.Cl.
What is the InChIKey of 2-benzyl-N,N-diethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide;dihydrochloride?
The InChIKey is FMUFNQUMRQVHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2.2ClH/c1-3-26(4-2)24(29)21-11-8-12-23(22(21)19-20-9-6-5-7-10-20)27-15-13-25(14-16-27)17-18-28;;/h5-12,28H,3-4,13-19H2,1-2H3;2*1H.
What are the key properties of 2-benzyl-N,N-diethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide;dihydrochloride?
2-benzyl-N,N-diethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide;dihydrochloride has a molecular weight of 468.47 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N,N-diethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide;dihydrochloride is sourced from PubChem (CID 142636557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).