4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzamide

C24H27N5O — CID 11304169

IUPAC4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzamide
SMILESN#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(N)=O)cc4)CC3)c2c1
InChIInChI=1S/C24H27N5O/c25-16-18-4-9-23-22(15-18)20(17-27-23)3-1-2-10-28-11-13-29(14-12-28)21-7-5-19(6-8-21)24(26)30/h4-9,15,17,27H,1-3,10-14H2,(H2,26,30)
InChIKeyVCIWMQRQRVRAAL-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.28
Rot. Bonds7

About 4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzamide

4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzamide (PubChem CID 11304169) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzamide
PubChem CID11304169
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzamide
SMILESN#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(N)=O)cc4)CC3)c2c1
InChIInChI=1S/C24H27N5O/c25-16-18-4-9-23-22(15-18)20(17-27-23)3-1-2-10-28-11-13-29(14-12-28)21-7-5-19(6-8-21)24(26)30/h4-9,15,17,27H,1-3,10-14H2,(H2,26,30)
InChIKeyVCIWMQRQRVRAAL-UHFFFAOYSA-N
XLogP3.28
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzamide (CID 11304169) is 4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzamide is N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(N)=O)cc4)CC3)c2c1.
What is the InChIKey of 4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzamide?
The InChIKey is VCIWMQRQRVRAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c25-16-18-4-9-23-22(15-18)20(17-27-23)3-1-2-10-28-11-13-29(14-12-28)21-7-5-19(6-8-21)24(26)30/h4-9,15,17,27H,1-3,10-14H2,(H2,26,30).
What are the key properties of 4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzamide?
4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzamide has a molecular weight of 401.51 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 11304169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).