(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C23H30N4O2 — CID 108989482

IUPAC(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C23H30N4O2/c1-29-22-9-7-21(8-10-22)25-15-17-27(18-16-25)23(28)26-13-11-24(12-14-26)19-20-5-3-2-4-6-20/h2-10H,11-19H2,1H3
InChIKeyZGYDTENKLRQQDJ-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.76
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 108989482) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID108989482
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C23H30N4O2/c1-29-22-9-7-21(8-10-22)25-15-17-27(18-16-25)23(28)26-13-11-24(12-14-26)19-20-5-3-2-4-6-20/h2-10H,11-19H2,1H3
InChIKeyZGYDTENKLRQQDJ-UHFFFAOYSA-N
XLogP2.76
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzyl-1,4-diazepan-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 46514228
2-[4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetic acid;dihydrochloride
CID 139735158
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
1-(4-benzylpiperazin-1-yl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43908594
2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 34932262
(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987856
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 1394950
4-[[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-N-phenylbenzamide
CID 78898629
(2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22689945
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenyl-2-pyrrol-1-ylpropan-1-one
CID 5307622
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 108989482) is (4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is ZGYDTENKLRQQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-29-22-9-7-21(8-10-22)25-15-17-27(18-16-25)23(28)26-13-11-24(12-14-26)19-20-5-3-2-4-6-20/h2-10H,11-19H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 394.52 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 108989482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).