N-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]-4-methoxy-N-propylaniline

C26H36N4O — CID 122191606

IUPACN-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]-4-methoxy-N-propylaniline
SMILESCCCN(CCN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(OC)cc1
InChIInChI=1S/C26H36N4O/c1-3-13-30(23-8-10-24(31-2)11-9-23)20-19-29-17-15-28(16-18-29)14-12-22-21-27-26-7-5-4-6-25(22)26/h4-11,21,27H,3,12-20H2,1-2H3
InChIKeyKYSNHZPEWJTUAP-UHFFFAOYSA-N
MW420.60 g/mol
LogP4.25
Rot. Bonds10

About N-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]-4-methoxy-N-propylaniline

N-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]-4-methoxy-N-propylaniline (PubChem CID 122191606) has the molecular formula C26H36N4O and a molecular weight of 420.60 g/mol. Its IUPAC name is N-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]-4-methoxy-N-propylaniline.

Molecular Properties

Compound NameN-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]-4-methoxy-N-propylaniline
PubChem CID122191606
Molecular FormulaC26H36N4O
Molecular Weight420.60 g/mol
Exact Mass420.29
IUPAC NameN-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]-4-methoxy-N-propylaniline
SMILESCCCN(CCN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(OC)cc1
InChIInChI=1S/C26H36N4O/c1-3-13-30(23-8-10-24(31-2)11-9-23)20-19-29-17-15-28(16-18-29)14-12-22-21-27-26-7-5-4-6-25(22)26/h4-11,21,27H,3,12-20H2,1-2H3
InChIKeyKYSNHZPEWJTUAP-UHFFFAOYSA-N
XLogP4.25
TPSA34.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113109783
3-[3-[4-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole
CID 6990058
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
N-[2-(1H-indol-3-yl)ethyl]-N-methoxypropan-1-amine
CID 175843583
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate
CID 50999126
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
4-[[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171910706

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]-4-methoxy-N-propylaniline?
The IUPAC name of N-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]-4-methoxy-N-propylaniline (CID 122191606) is N-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]-4-methoxy-N-propylaniline.
What is the SMILES notation for N-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]-4-methoxy-N-propylaniline?
The canonical SMILES for N-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]-4-methoxy-N-propylaniline is CCCN(CCN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(OC)cc1.
What is the InChIKey of N-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]-4-methoxy-N-propylaniline?
The InChIKey is KYSNHZPEWJTUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O/c1-3-13-30(23-8-10-24(31-2)11-9-23)20-19-29-17-15-28(16-18-29)14-12-22-21-27-26-7-5-4-6-25(22)26/h4-11,21,27H,3,12-20H2,1-2H3.
What are the key properties of N-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]-4-methoxy-N-propylaniline?
N-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]-4-methoxy-N-propylaniline has a molecular weight of 420.60 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]-4-methoxy-N-propylaniline is sourced from PubChem (CID 122191606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).