(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C23H30N4O2 — CID 108989464

IUPAC(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H30N4O2/c1-29-22-10-6-5-9-21(22)25-15-17-27(18-16-25)23(28)26-13-11-24(12-14-26)19-20-7-3-2-4-8-20/h2-10H,11-19H2,1H3
InChIKeyMOHFXHCFOKWDLJ-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.76
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 108989464) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID108989464
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H30N4O2/c1-29-22-10-6-5-9-21(22)25-15-17-27(18-16-25)23(28)26-13-11-24(12-14-26)19-20-7-3-2-4-8-20/h2-10H,11-19H2,1H3
InChIKeyMOHFXHCFOKWDLJ-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

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Related Compounds

(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 46054196
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920571
3-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzoic acid
CID 136550037
1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 5115878
(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987856
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920566
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
1-[[4-(cyclopenta-2,4-dien-1-ylidenemethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 102040490
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119826529
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 7494641

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 108989464) is (4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is MOHFXHCFOKWDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-29-22-10-6-5-9-21(22)25-15-17-27(18-16-25)23(28)26-13-11-24(12-14-26)19-20-7-3-2-4-8-20/h2-10H,11-19H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(4-benzylpiperazin-1-yl)-[4-(2-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-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 108989464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).