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

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Related Compounds

Indoramin
CID 33625
Apicidin
CID 6918328
Ilomastat
CID 132519
Tivantinib
CID 11494412
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Anamorelin
CID 9828911
Indole-3-acetamide
CID 397
(3s,6s,9s,12r)-6-[(1-Methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
CID 467801
Pf-06840003
CID 23063810
Indoramin hydrochloride
CID 38102
N-(20-Amino-4-hydroxy-4,8,12,17-tetraazaeicos-1-yl)-1H-indole-3-acetamide
CID 131007
Indole-3-acetaldehyde
CID 800

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).