1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-3-yl]propan-1-one

C29H30ClN3O2 — CID 10228092

IUPAC1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-3-yl]propan-1-one
SMILESCn1c(-c2ccc(Cl)cc2)c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cnccc21
InChIInChI=1S/C29H30ClN3O2/c1-32-26-13-16-31-20-25(26)24(28(32)22-7-9-23(30)10-8-22)11-12-27(34)33-17-14-29(35,15-18-33)19-21-5-3-2-4-6-21/h2-10,13,16,20,35H,11-12,14-15,17-19H2,1H3
InChIKeyAMKINZCRNCDIPJ-UHFFFAOYSA-N
MW488.03 g/mol
LogP5.42
Rot. Bonds6

About 1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-3-yl]propan-1-one

1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-3-yl]propan-1-one (PubChem CID 10228092) has the molecular formula C29H30ClN3O2 and a molecular weight of 488.03 g/mol. Its IUPAC name is 1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-3-yl]propan-1-one
PubChem CID10228092
Molecular FormulaC29H30ClN3O2
Molecular Weight488.03 g/mol
Exact Mass487.20
IUPAC Name1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-3-yl]propan-1-one
SMILESCn1c(-c2ccc(Cl)cc2)c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cnccc21
InChIInChI=1S/C29H30ClN3O2/c1-32-26-13-16-31-20-25(26)24(28(32)22-7-9-23(30)10-8-22)11-12-27(34)33-17-14-29(35,15-18-33)19-21-5-3-2-4-6-21/h2-10,13,16,20,35H,11-12,14-15,17-19H2,1H3
InChIKeyAMKINZCRNCDIPJ-UHFFFAOYSA-N
XLogP5.42
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.03
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-3-yl]propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-3-yl]propan-1-one?
The IUPAC name of 1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-3-yl]propan-1-one (CID 10228092) is 1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-3-yl]propan-1-one.
What is the SMILES notation for 1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-3-yl]propan-1-one?
The canonical SMILES for 1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-3-yl]propan-1-one is Cn1c(-c2ccc(Cl)cc2)c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cnccc21.
What is the InChIKey of 1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-3-yl]propan-1-one?
The InChIKey is AMKINZCRNCDIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN3O2/c1-32-26-13-16-31-20-25(26)24(28(32)22-7-9-23(30)10-8-22)11-12-27(34)33-17-14-29(35,15-18-33)19-21-5-3-2-4-6-21/h2-10,13,16,20,35H,11-12,14-15,17-19H2,1H3.
What are the key properties of 1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-3-yl]propan-1-one?
1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-3-yl]propan-1-one has a molecular weight of 488.03 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-3-yl]propan-1-one is sourced from PubChem (CID 10228092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).