N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide

C21H27N3O2 — CID 39985567

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-20-9-7-19(8-10-20)21(25)22-11-12-23-13-15-24(16-14-23)17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,22,25)
InChIKeyZTBJEADFYIMFNX-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.24
Rot. Bonds7

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide (PubChem CID 39985567) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
PubChem CID39985567
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-20-9-7-19(8-10-20)21(25)22-11-12-23-13-15-24(16-14-23)17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,22,25)
InChIKeyZTBJEADFYIMFNX-UHFFFAOYSA-N
XLogP2.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 139726509
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide
CID 29207362
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 39983244
N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide
CID 122188780
N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41136212
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 46054193
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4851320
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
N-[2-(dimethylamino)ethyl]-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 42858719
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 29207413
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide (CID 39985567) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide?
The InChIKey is ZTBJEADFYIMFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-20-9-7-19(8-10-20)21(25)22-11-12-23-13-15-24(16-14-23)17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide has a molecular weight of 353.47 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 39985567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).