5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide

C25H29N5O2 — CID 10071413

IUPAC5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(C#N)ccc3[nH]2)CC1
InChIInChI=1S/C25H29N5O2/c1-32-24-7-3-2-6-23(24)30-14-12-29(13-15-30)11-5-4-10-27-25(31)22-17-20-16-19(18-26)8-9-21(20)28-22/h2-3,6-9,16-17,28H,4-5,10-15H2,1H3,(H,27,31)
InChIKeyZDQIWLYZMZKCKZ-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.38
Rot. Bonds8

About 5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide

5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide (PubChem CID 10071413) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
PubChem CID10071413
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(C#N)ccc3[nH]2)CC1
InChIInChI=1S/C25H29N5O2/c1-32-24-7-3-2-6-23(24)30-14-12-29(13-15-30)11-5-4-10-27-25(31)22-17-20-16-19(18-26)8-9-21(20)28-22/h2-3,6-9,16-17,28H,4-5,10-15H2,1H3,(H,27,31)
InChIKeyZDQIWLYZMZKCKZ-UHFFFAOYSA-N
XLogP3.38
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Piperazine, 1-((5-methoxyindol-2-yl)carbonyl)-4-methyl-
CID 206876
N-(1-Isopropylpiperidin-4-YL)-1-(3-methoxybenzyl)-1H-indole-2-carboxamide
CID 6540267
(2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-(1H-indol-2-ylformamido)-4-methylpentanamide
CID 23648426
3-[2-(4-bromophenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 489662
3-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
CID 4013695
3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 9978693
5-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10413085
N-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10454026
6-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10477871
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11165673
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 11464427
2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 11732785

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide (CID 10071413) is 5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide is COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(C#N)ccc3[nH]2)CC1.
What is the InChIKey of 5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The InChIKey is ZDQIWLYZMZKCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-32-24-7-3-2-6-23(24)30-14-12-29(13-15-30)11-5-4-10-27-25(31)22-17-20-16-19(18-26)8-9-21(20)28-22/h2-3,6-9,16-17,28H,4-5,10-15H2,1H3,(H,27,31).
What are the key properties of 5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10071413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).