(4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone

C33H39N5O2 — CID 124797684

IUPAC(4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
SMILESCOc1ccc(Cn2c(CN3CCC(C(=O)N4CCN(Cc5ccccc5)CC4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C33H39N5O2/c1-40-29-13-11-27(12-14-29)24-38-31-10-6-5-9-30(31)34-32(38)25-35-17-15-28(16-18-35)33(39)37-21-19-36(20-22-37)23-26-7-3-2-4-8-26/h2-14,28H,15-25H2,1H3
InChIKeyRHRSUNZCWSQPAS-UHFFFAOYSA-N
MW537.71 g/mol
LogP4.65
Rot. Bonds8

About (4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone

(4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone (PubChem CID 124797684) has the molecular formula C33H39N5O2 and a molecular weight of 537.71 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
PubChem CID124797684
Molecular FormulaC33H39N5O2
Molecular Weight537.71 g/mol
Exact Mass537.31
IUPAC Name(4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
SMILESCOc1ccc(Cn2c(CN3CCC(C(=O)N4CCN(Cc5ccccc5)CC4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C33H39N5O2/c1-40-29-13-11-27(12-14-29)24-38-31-10-6-5-9-30(31)34-32(38)25-35-17-15-28(16-18-35)33(39)37-21-19-36(20-22-37)23-26-7-3-2-4-8-26/h2-14,28H,15-25H2,1H3
InChIKeyRHRSUNZCWSQPAS-UHFFFAOYSA-N
XLogP4.65
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.71
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone with MolForge

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Related Compounds

[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 124797078
[4-(3-chlorophenyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
CID 124793734
[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
CID 124798833
(4-butylpiperazin-1-yl)-[(3S)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]methanone
CID 124824788
1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 124824584
[(3S,5R)-4-benzyl-3,5-dimethylpiperazin-1-yl]-[(3S)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]methanone
CID 124795177
N-(2,6-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124798205
ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 134084341
N-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide
CID 124823623
[(3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124913737
[(3S)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 124795518
(4-ethylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 3409585

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone (CID 124797684) is (4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone is COc1ccc(Cn2c(CN3CCC(C(=O)N4CCN(Cc5ccccc5)CC4)CC3)nc3ccccc32)cc1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone?
The InChIKey is RHRSUNZCWSQPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O2/c1-40-29-13-11-27(12-14-29)24-38-31-10-6-5-9-30(31)34-32(38)25-35-17-15-28(16-18-35)33(39)37-21-19-36(20-22-37)23-26-7-3-2-4-8-26/h2-14,28H,15-25H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone?
(4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone has a molecular weight of 537.71 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 124797684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).