N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide

C22H29FN4O2 — CID 86944940

IUPACN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2cc(F)ccc12)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C22H29FN4O2/c23-18-5-6-19-17(15-25-20(19)14-18)13-21(28)24-7-8-26-9-11-27(12-10-26)22(29)16-3-1-2-4-16/h5-6,14-16,25H,1-4,7-13H2,(H,24,28)
InChIKeyZTIQJVNJVRAAOK-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.30
Rot. Bonds6

About N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide (PubChem CID 86944940) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
PubChem CID86944940
Molecular FormulaC22H29FN4O2
Molecular Weight400.50 g/mol
Exact Mass400.23
IUPAC NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2cc(F)ccc12)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C22H29FN4O2/c23-18-5-6-19-17(15-25-20(19)14-18)13-21(28)24-7-8-26-9-11-27(12-10-26)22(29)16-3-1-2-4-16/h5-6,14-16,25H,1-4,7-13H2,(H,24,28)
InChIKeyZTIQJVNJVRAAOK-UHFFFAOYSA-N
XLogP2.30
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-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

Related Compounds

1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111566957
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide
CID 86944988
N-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide
CID 90754095
4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide
CID 78892291
2-(6-fluoro-1H-indol-3-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 111464326
2-(6-fluoro-1H-indol-3-yl)-N-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetamide
CID 127603569
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209364
1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 110856306
N-[2-(dimethylamino)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209367
2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 172548059
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide
CID 86944684

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide (CID 86944940) is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2cc(F)ccc12)NCCN1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide?
The InChIKey is ZTIQJVNJVRAAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2/c23-18-5-6-19-17(15-25-20(19)14-18)13-21(28)24-7-8-26-9-11-27(12-10-26)22(29)16-3-1-2-4-16/h5-6,14-16,25H,1-4,7-13H2,(H,24,28).
What are the key properties of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide?
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide has a molecular weight of 400.50 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 86944940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).