methyl 2-(3-chlorophenyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetate;hydrochloride

C19H29Cl2N3O2 — CID 120904366

IUPACmethyl 2-(3-chlorophenyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetate;hydrochloride
SMILESCOC(=O)C(c1cccc(Cl)c1)N1CCN(CC2(C)CCNC2)CC1.Cl
InChIInChI=1S/C19H28ClN3O2.ClH/c1-19(6-7-21-13-19)14-22-8-10-23(11-9-22)17(18(24)25-2)15-4-3-5-16(20)12-15;/h3-5,12,17,21H,6-11,13-14H2,1-2H3;1H
InChIKeyZRCHUWNDPBTMQB-UHFFFAOYSA-N
MW402.37 g/mol
LogP2.59
Rot. Bonds5

About methyl 2-(3-chlorophenyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetate;hydrochloride

methyl 2-(3-chlorophenyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetate;hydrochloride (PubChem CID 120904366) has the molecular formula C19H29Cl2N3O2 and a molecular weight of 402.37 g/mol. Its IUPAC name is methyl 2-(3-chlorophenyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(3-chlorophenyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetate;hydrochloride
PubChem CID120904366
Molecular FormulaC19H29Cl2N3O2
Molecular Weight402.37 g/mol
Exact Mass401.16
IUPAC Namemethyl 2-(3-chlorophenyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetate;hydrochloride
SMILESCOC(=O)C(c1cccc(Cl)c1)N1CCN(CC2(C)CCNC2)CC1.Cl
InChIInChI=1S/C19H28ClN3O2.ClH/c1-19(6-7-21-13-19)14-22-8-10-23(11-9-22)17(18(24)25-2)15-4-3-5-16(20)12-15;/h3-5,12,17,21H,6-11,13-14H2,1-2H3;1H
InChIKeyZRCHUWNDPBTMQB-UHFFFAOYSA-N
XLogP2.59
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(3-chlorophenyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetate;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

methyl 2-(3-chlorophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetate
CID 120850183
1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120897569
methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
CID 54894645
methyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate
CID 97064150
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120897299
methyl 2-(3-chloro-5-fluorophenyl)-2-piperazin-1-ylacetate
CID 114453677
methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
CID 28819369
N-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120898003
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790
2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride
CID 120903950
N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120898228
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120897174

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chlorophenyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetate;hydrochloride?
The IUPAC name of methyl 2-(3-chlorophenyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetate;hydrochloride (CID 120904366) is methyl 2-(3-chlorophenyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-(3-chlorophenyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetate;hydrochloride?
The canonical SMILES for methyl 2-(3-chlorophenyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetate;hydrochloride is COC(=O)C(c1cccc(Cl)c1)N1CCN(CC2(C)CCNC2)CC1.Cl.
What is the InChIKey of methyl 2-(3-chlorophenyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetate;hydrochloride?
The InChIKey is ZRCHUWNDPBTMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2.ClH/c1-19(6-7-21-13-19)14-22-8-10-23(11-9-22)17(18(24)25-2)15-4-3-5-16(20)12-15;/h3-5,12,17,21H,6-11,13-14H2,1-2H3;1H.
What are the key properties of methyl 2-(3-chlorophenyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetate;hydrochloride?
methyl 2-(3-chlorophenyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetate;hydrochloride has a molecular weight of 402.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chlorophenyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetate;hydrochloride is sourced from PubChem (CID 120904366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).