3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide

C26H32N4O2 — CID 10410574

IUPAC3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)CCCO5)CC3)c2c1
InChIInChI=1S/C26H32N4O2/c27-26(31)20-6-8-24-23(17-20)21(18-28-24)4-1-2-10-29-11-13-30(14-12-29)22-7-9-25-19(16-22)5-3-15-32-25/h6-9,16-18,28H,1-5,10-15H2,(H2,27,31)
InChIKeyZOTMPHLOFULIPB-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.74
Rot. Bonds7

About 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide

3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide (PubChem CID 10410574) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide
PubChem CID10410574
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)CCCO5)CC3)c2c1
InChIInChI=1S/C26H32N4O2/c27-26(31)20-6-8-24-23(17-20)21(18-28-24)4-1-2-10-29-11-13-30(14-12-29)22-7-9-25-19(16-22)5-3-15-32-25/h6-9,16-18,28H,1-5,10-15H2,(H2,27,31)
InChIKeyZOTMPHLOFULIPB-UHFFFAOYSA-N
XLogP3.74
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide with MolForge

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Related Compounds

Vilazodone
CID 6918314
2-benzofurancarboxamide, 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)-1-piperazinyl)-, hydrochloride (1:1)
CID 6918313
Del-22379
CID 11224574
(3Z)-5-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 16731836
3-(Cyclobutyl(3-(5-fluoro-1H-indol-3-yl)propyl)amino)-8-fluorochromane-5-carboxamide
CID 11293572
3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
CID 9823464
3-{4-[4-(2-Oxo-2H-chromen-6-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 9867165
3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 9978693
6-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-1-yl}-chromen-2-one
CID 10159048
6-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(4-amino-phenyl)-piperazin-1-yl]-hexan-1-one
CID 10321497
3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11154775
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11165673

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
The IUPAC name of 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide (CID 10410574) is 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
The canonical SMILES for 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide is NC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)CCCO5)CC3)c2c1.
What is the InChIKey of 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
The InChIKey is ZOTMPHLOFULIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c27-26(31)20-6-8-24-23(17-20)21(18-28-24)4-1-2-10-29-11-13-30(14-12-29)22-7-9-25-19(16-22)5-3-15-32-25/h6-9,16-18,28H,1-5,10-15H2,(H2,27,31).
What are the key properties of 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 10410574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).