benzyl 2-[3-(4-methylpiperazin-1-yl)propyl]-1,3-dioxolane-4-carboxylate

C19H28N2O4 — CID 135210844

IUPACbenzyl 2-[3-(4-methylpiperazin-1-yl)propyl]-1,3-dioxolane-4-carboxylate
SMILESCN1CCN(CCCC2OCC(C(=O)OCc3ccccc3)O2)CC1
InChIInChI=1S/C19H28N2O4/c1-20-10-12-21(13-11-20)9-5-8-18-23-15-17(25-18)19(22)24-14-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-15H2,1H3
InChIKeyVHPGXBBLPMFVKG-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.50
Rot. Bonds7

About benzyl 2-[3-(4-methylpiperazin-1-yl)propyl]-1,3-dioxolane-4-carboxylate

benzyl 2-[3-(4-methylpiperazin-1-yl)propyl]-1,3-dioxolane-4-carboxylate (PubChem CID 135210844) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is benzyl 2-[3-(4-methylpiperazin-1-yl)propyl]-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[3-(4-methylpiperazin-1-yl)propyl]-1,3-dioxolane-4-carboxylate
PubChem CID135210844
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namebenzyl 2-[3-(4-methylpiperazin-1-yl)propyl]-1,3-dioxolane-4-carboxylate
SMILESCN1CCN(CCCC2OCC(C(=O)OCc3ccccc3)O2)CC1
InChIInChI=1S/C19H28N2O4/c1-20-10-12-21(13-11-20)9-5-8-18-23-15-17(25-18)19(22)24-14-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-15H2,1H3
InChIKeyVHPGXBBLPMFVKG-UHFFFAOYSA-N
XLogP1.50
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl 2-[3-(4-methylpiperazin-1-yl)propyl]-1,3-dioxolane-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-(3-chloropropyl)-1,3-dioxolane-4-carboxylate;benzyl formate
CID 142400085
methyl 2-[(3S)-3-(dibenzylamino)-4-oxo-4-phenylmethoxybutyl]-1,3-dioxolane-4-carboxylate
CID 118437564
methyl (4S)-2-[3-(dibenzylamino)-4-oxo-4-phenylmethoxybutyl]-1,3-dioxolane-4-carboxylate
CID 118437565
benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate
CID 14443169
benzyl 4-pentylpiperazine-1-carboxylate
CID 20795377
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
benzyl 3-(4-butylpiperazin-1-yl)propanoate
CID 20795375
benzyl 3-[(4-methylpiperazin-1-yl)methyl]azetidine-1-carboxylate
CID 146640420
benzyl 2-[4-[[(2R)-oxiran-2-yl]methyl]piperazin-1-yl]acetate
CID 167020418
benzyl 4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperazine-1-carboxylate
CID 166066109
benzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 50999035
benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate
CID 66648860

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[3-(4-methylpiperazin-1-yl)propyl]-1,3-dioxolane-4-carboxylate?
The IUPAC name of benzyl 2-[3-(4-methylpiperazin-1-yl)propyl]-1,3-dioxolane-4-carboxylate (CID 135210844) is benzyl 2-[3-(4-methylpiperazin-1-yl)propyl]-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for benzyl 2-[3-(4-methylpiperazin-1-yl)propyl]-1,3-dioxolane-4-carboxylate?
The canonical SMILES for benzyl 2-[3-(4-methylpiperazin-1-yl)propyl]-1,3-dioxolane-4-carboxylate is CN1CCN(CCCC2OCC(C(=O)OCc3ccccc3)O2)CC1.
What is the InChIKey of benzyl 2-[3-(4-methylpiperazin-1-yl)propyl]-1,3-dioxolane-4-carboxylate?
The InChIKey is VHPGXBBLPMFVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-20-10-12-21(13-11-20)9-5-8-18-23-15-17(25-18)19(22)24-14-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-15H2,1H3.
What are the key properties of benzyl 2-[3-(4-methylpiperazin-1-yl)propyl]-1,3-dioxolane-4-carboxylate?
benzyl 2-[3-(4-methylpiperazin-1-yl)propyl]-1,3-dioxolane-4-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 1.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[3-(4-methylpiperazin-1-yl)propyl]-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 135210844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).