3-[4-[4-(2-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide

C24H29N5O2 — CID 11384601

IUPAC3-[4-[4-(2-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccccc4C(N)=O)CC3)c2c1
InChIInChI=1S/C24H29N5O2/c25-23(30)17-8-9-21-20(15-17)18(16-27-21)5-3-4-10-28-11-13-29(14-12-28)22-7-2-1-6-19(22)24(26)31/h1-2,6-9,15-16,27H,3-5,10-14H2,(H2,25,30)(H2,26,31)
InChIKeyGMWUCQTVJHIJAK-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.51
Rot. Bonds8

About 3-[4-[4-(2-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide

3-[4-[4-(2-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide (PubChem CID 11384601) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-[4-[4-(2-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-[4-[4-(2-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide
PubChem CID11384601
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name3-[4-[4-(2-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccccc4C(N)=O)CC3)c2c1
InChIInChI=1S/C24H29N5O2/c25-23(30)17-8-9-21-20(15-17)18(16-27-21)5-3-4-10-28-11-13-29(14-12-28)22-7-2-1-6-19(22)24(26)31/h1-2,6-9,15-16,27H,3-5,10-14H2,(H2,25,30)(H2,26,31)
InChIKeyGMWUCQTVJHIJAK-UHFFFAOYSA-N
XLogP2.51
TPSA108.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.51
H-Bond Donors ≤ 53
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 3-[4-[4-(2-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
The IUPAC name of 3-[4-[4-(2-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide (CID 11384601) is 3-[4-[4-(2-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 3-[4-[4-(2-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
The canonical SMILES for 3-[4-[4-(2-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide is NC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccccc4C(N)=O)CC3)c2c1.
What is the InChIKey of 3-[4-[4-(2-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
The InChIKey is GMWUCQTVJHIJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c25-23(30)17-8-9-21-20(15-17)18(16-27-21)5-3-4-10-28-11-13-29(14-12-28)22-7-2-1-6-19(22)24(26)31/h1-2,6-9,15-16,27H,3-5,10-14H2,(H2,25,30)(H2,26,31).
What are the key properties of 3-[4-[4-(2-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
3-[4-[4-(2-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-carbamoylphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 11384601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).