2-(4-methylpiperazin-1-yl)-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone;hydrochloride

C18H28ClN3O2 — CID 170862252

IUPAC2-(4-methylpiperazin-1-yl)-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone;hydrochloride
SMILESCN1CCN(CC(=O)c2ccc(OCC3CCNC3)cc2)CC1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-20-8-10-21(11-9-20)13-18(22)16-2-4-17(5-3-16)23-14-15-6-7-19-12-15;/h2-5,15,19H,6-14H2,1H3;1H
InChIKeyPFWONQKMVHRVSB-UHFFFAOYSA-N
MW353.89 g/mol
LogP1.53
Rot. Bonds6

About 2-(4-methylpiperazin-1-yl)-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone;hydrochloride

2-(4-methylpiperazin-1-yl)-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone;hydrochloride (PubChem CID 170862252) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone;hydrochloride
PubChem CID170862252
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name2-(4-methylpiperazin-1-yl)-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone;hydrochloride
SMILESCN1CCN(CC(=O)c2ccc(OCC3CCNC3)cc2)CC1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-20-8-10-21(11-9-20)13-18(22)16-2-4-17(5-3-16)23-14-15-6-7-19-12-15;/h2-5,15,19H,6-14H2,1H3;1H
InChIKeyPFWONQKMVHRVSB-UHFFFAOYSA-N
XLogP1.53
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methylpiperazin-1-yl)-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone;hydrochloride 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

2-amino-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone
CID 170861087
3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830321
2-(4-methylpiperazin-1-yl)-1-(4-octadecoxyphenyl)ethanone
CID 170861782
N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321304
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
CID 86321325
2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone
CID 170861083
[4-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl] 2,2-dimethylpropanoate
CID 174567843
1-methyl-6-(pyrrolidin-3-ylmethoxy)-2,3-dihydroindole
CID 84695936
ethyl 4-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830939
(4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone
CID 95169844
1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861975

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone;hydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone;hydrochloride (CID 170862252) is 2-(4-methylpiperazin-1-yl)-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone;hydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone;hydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone;hydrochloride is CN1CCN(CC(=O)c2ccc(OCC3CCNC3)cc2)CC1.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone;hydrochloride?
The InChIKey is PFWONQKMVHRVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-20-8-10-21(11-9-20)13-18(22)16-2-4-17(5-3-16)23-14-15-6-7-19-12-15;/h2-5,15,19H,6-14H2,1H3;1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone;hydrochloride?
2-(4-methylpiperazin-1-yl)-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone;hydrochloride is sourced from PubChem (CID 170862252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).