2-[(2-chlorophenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride

C25H29Cl2N3O3 — CID 24785509

IUPAC2-[(2-chlorophenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCC1CCCCN1CCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1Cl)C2=O.Cl
InChIInChI=1S/C25H28ClN3O3.ClH/c1-17-7-4-5-13-28(17)14-6-12-27-23(30)18-10-11-20-21(15-18)25(32)29(24(20)31)16-19-8-2-3-9-22(19)26;/h2-3,8-11,15,17H,4-7,12-14,16H2,1H3,(H,27,30);1H
InChIKeyAWNLTWUZIDMIRB-UHFFFAOYSA-N
MW490.43 g/mol
LogP4.55
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride

2-[(2-chlorophenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride (PubChem CID 24785509) has the molecular formula C25H29Cl2N3O3 and a molecular weight of 490.43 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
PubChem CID24785509
Molecular FormulaC25H29Cl2N3O3
Molecular Weight490.43 g/mol
Exact Mass489.16
IUPAC Name2-[(2-chlorophenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCC1CCCCN1CCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1Cl)C2=O.Cl
InChIInChI=1S/C25H28ClN3O3.ClH/c1-17-7-4-5-13-28(17)14-6-12-27-23(30)18-10-11-20-21(15-18)25(32)29(24(20)31)16-19-8-2-3-9-22(19)26;/h2-3,8-11,15,17H,4-7,12-14,16H2,1H3,(H,27,30);1H
InChIKeyAWNLTWUZIDMIRB-UHFFFAOYSA-N
XLogP4.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride (CID 24785509) is 2-[(2-chlorophenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride is CC1CCCCN1CCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1Cl)C2=O.Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The InChIKey is AWNLTWUZIDMIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O3.ClH/c1-17-7-4-5-13-28(17)14-6-12-27-23(30)18-10-11-20-21(15-18)25(32)29(24(20)31)16-19-8-2-3-9-22(19)26;/h2-3,8-11,15,17H,4-7,12-14,16H2,1H3,(H,27,30);1H.
What are the key properties of 2-[(2-chlorophenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
2-[(2-chlorophenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride has a molecular weight of 490.43 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 24785509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).