N-(4-chlorophenyl)-2-[2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]acetamide

C26H29ClN4O2 — CID 22394403

IUPACN-(4-chlorophenyl)-2-[2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]acetamide
SMILESO=C(Cn1c(C(=O)N2CCC(N3CCCC3)CC2)cc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C26H29ClN4O2/c27-20-7-9-21(10-8-20)28-25(32)18-31-23-6-2-1-5-19(23)17-24(31)26(33)30-15-11-22(12-16-30)29-13-3-4-14-29/h1-2,5-10,17,22H,3-4,11-16,18H2,(H,28,32)
InChIKeyWHVRIEBTPHOXEE-UHFFFAOYSA-N
MW465.00 g/mol
LogP4.63
Rot. Bonds5

About N-(4-chlorophenyl)-2-[2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]acetamide

N-(4-chlorophenyl)-2-[2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]acetamide (PubChem CID 22394403) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]acetamide
PubChem CID22394403
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC NameN-(4-chlorophenyl)-2-[2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]acetamide
SMILESO=C(Cn1c(C(=O)N2CCC(N3CCCC3)CC2)cc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C26H29ClN4O2/c27-20-7-9-21(10-8-20)28-25(32)18-31-23-6-2-1-5-19(23)17-24(31)26(33)30-15-11-22(12-16-30)29-13-3-4-14-29/h1-2,5-10,17,22H,3-4,11-16,18H2,(H,28,32)
InChIKeyWHVRIEBTPHOXEE-UHFFFAOYSA-N
XLogP4.63
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-2-[2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]acetamide 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 N-(4-chlorophenyl)-2-[2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]acetamide (CID 22394403) is N-(4-chlorophenyl)-2-[2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]acetamide is O=C(Cn1c(C(=O)N2CCC(N3CCCC3)CC2)cc2ccccc21)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]acetamide?
The InChIKey is WHVRIEBTPHOXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c27-20-7-9-21(10-8-20)28-25(32)18-31-23-6-2-1-5-19(23)17-24(31)26(33)30-15-11-22(12-16-30)29-13-3-4-14-29/h1-2,5-10,17,22H,3-4,11-16,18H2,(H,28,32).
What are the key properties of N-(4-chlorophenyl)-2-[2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]acetamide?
N-(4-chlorophenyl)-2-[2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]acetamide has a molecular weight of 465.00 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]acetamide is sourced from PubChem (CID 22394403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).