N-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide

C30H30N4O2 — CID 506178

IUPACN-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)C(N1CCN(C(=O)c3ccc4[nH]ccc4c3)CC1)c1ccccc1-2
InChIInChI=1S/C30H30N4O2/c1-2-5-28(35)32-22-9-10-24-23-6-3-4-7-25(23)29(26(24)19-22)33-14-16-34(17-15-33)30(36)21-8-11-27-20(18-21)12-13-31-27/h3-4,6-13,18-19,29,31H,2,5,14-17H2,1H3,(H,32,35)
InChIKeyAPGNNIFADFBLCX-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.43
Rot. Bonds5

About N-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide

N-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide (PubChem CID 506178) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide.

Molecular Properties

Compound NameN-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide
PubChem CID506178
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC NameN-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)C(N1CCN(C(=O)c3ccc4[nH]ccc4c3)CC1)c1ccccc1-2
InChIInChI=1S/C30H30N4O2/c1-2-5-28(35)32-22-9-10-24-23-6-3-4-7-25(23)29(26(24)19-22)33-14-16-34(17-15-33)30(36)21-8-11-27-20(18-21)12-13-31-27/h3-4,6-13,18-19,29,31H,2,5,14-17H2,1H3,(H,32,35)
InChIKeyAPGNNIFADFBLCX-UHFFFAOYSA-N
XLogP5.43
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide?
The IUPAC name of N-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide (CID 506178) is N-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide.
What is the SMILES notation for N-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide?
The canonical SMILES for N-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide is CCCC(=O)Nc1ccc2c(c1)C(N1CCN(C(=O)c3ccc4[nH]ccc4c3)CC1)c1ccccc1-2.
What is the InChIKey of N-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide?
The InChIKey is APGNNIFADFBLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-2-5-28(35)32-22-9-10-24-23-6-3-4-7-25(23)29(26(24)19-22)33-14-16-34(17-15-33)30(36)21-8-11-27-20(18-21)12-13-31-27/h3-4,6-13,18-19,29,31H,2,5,14-17H2,1H3,(H,32,35).
What are the key properties of N-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide?
N-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide has a molecular weight of 478.60 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide is sourced from PubChem (CID 506178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).