methyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate

C24H29N3O3 — CID 153322681

IUPACmethyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCN(C(=O)CNC3CC3c3ccccc3)CC2)cc1
InChIInChI=1S/C24H29N3O3/c1-30-24(29)20-9-7-18(8-10-20)17-26-11-13-27(14-12-26)23(28)16-25-22-15-21(22)19-5-3-2-4-6-19/h2-10,21-22,25H,11-17H2,1H3
InChIKeyGUJQRCZCMBFYBX-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.26
Rot. Bonds7

About methyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate

methyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate (PubChem CID 153322681) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is methyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate
PubChem CID153322681
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Namemethyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCN(C(=O)CNC3CC3c3ccccc3)CC2)cc1
InChIInChI=1S/C24H29N3O3/c1-30-24(29)20-9-7-18(8-10-20)17-26-11-13-27(14-12-26)23(28)16-25-22-15-21(22)19-5-3-2-4-6-19/h2-10,21-22,25H,11-17H2,1H3
InChIKeyGUJQRCZCMBFYBX-UHFFFAOYSA-N
XLogP2.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate with MolForge

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Related Compounds

N-hydroxy-4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 175752167
1-(4-ethylpiperazin-1-yl)-2-[(2-phenylcyclopropyl)amino]ethanone
CID 66978917
methyl 4-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 109002062
2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 66978926
1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride
CID 71811172
methyl 4-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 47039900
methyl 4-[[4-(2-phenoxypropyl)piperazin-1-yl]methyl]benzoate
CID 54506508
methyl 4-[[(3R,5S)-4-[[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoate
CID 118367213
1-(4-methylpiperazin-1-yl)-2-[[(1R,2S)-2-(4-phenoxyphenyl)cyclopropyl]amino]ethanone
CID 154002845
methyl 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzoate
CID 5009939
methyl 4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoate
CID 27128637
methyl 4-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxoprop-1-enyl]benzoate
CID 26535461

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate (CID 153322681) is methyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate is COC(=O)c1ccc(CN2CCN(C(=O)CNC3CC3c3ccccc3)CC2)cc1.
What is the InChIKey of methyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate?
The InChIKey is GUJQRCZCMBFYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-30-24(29)20-9-7-18(8-10-20)17-26-11-13-27(14-12-26)23(28)16-25-22-15-21(22)19-5-3-2-4-6-19/h2-10,21-22,25H,11-17H2,1H3.
What are the key properties of methyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate?
methyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate has a molecular weight of 407.51 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate is sourced from PubChem (CID 153322681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).