[4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine

C28H40N4O3 — CID 144846953

IUPAC[4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine
SMILESCCCn1c(C)c(C(=O)N2CCN(CCc3ccc(O)cc3)CC2)c2cc(OC)ccc21.CNC
InChIInChI=1S/C26H33N3O3.C2H7N/c1-4-12-29-19(2)25(23-18-22(32-3)9-10-24(23)29)26(31)28-16-14-27(15-17-28)13-11-20-5-7-21(30)8-6-20;1-3-2/h5-10,18,30H,4,11-17H2,1-3H3;3H,1-2H3
InChIKeyVIHMSLJEMIVUAC-UHFFFAOYSA-N
MW480.65 g/mol
LogP3.91
Rot. Bonds7

About [4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine

[4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine (PubChem CID 144846953) has the molecular formula C28H40N4O3 and a molecular weight of 480.65 g/mol. Its IUPAC name is [4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine.

Molecular Properties

Compound Name[4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine
PubChem CID144846953
Molecular FormulaC28H40N4O3
Molecular Weight480.65 g/mol
Exact Mass480.31
IUPAC Name[4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine
SMILESCCCn1c(C)c(C(=O)N2CCN(CCc3ccc(O)cc3)CC2)c2cc(OC)ccc21.CNC
InChIInChI=1S/C26H33N3O3.C2H7N/c1-4-12-29-19(2)25(23-18-22(32-3)9-10-24(23)29)26(31)28-16-14-27(15-17-28)13-11-20-5-7-21(30)8-6-20;1-3-2/h5-10,18,30H,4,11-17H2,1-3H3;3H,1-2H3
InChIKeyVIHMSLJEMIVUAC-UHFFFAOYSA-N
XLogP3.91
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.65
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-chloropropyl)-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 129186965
[1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 129186935
[1-[3-(diethylamino)propyl]-5-ethoxy-2-methylindol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 129186984
[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(6-methoxynaphthalen-2-yl)ethyl]piperazin-1-yl]methanone
CID 118666831
(E)-3-[1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-1-[4-[2-(4-ethylphenyl)ethyl]piperazin-1-yl]prop-2-en-1-one
CID 144846948
(1-ethyl-5-methoxy-2-methylindol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 4897477
(E)-3-[1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-1-[4-[2-(4-methylphenyl)ethyl]piperazin-1-yl]prop-2-en-1-one
CID 144846956
(2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 60712175
N-(1-hydroxypentan-3-yl)-5-methoxy-2-methyl-1-propylindole-3-carboxamide
CID 109479265
N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103863
[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(7-methoxynaphthalen-1-yl)ethyl]piperazin-1-yl]methanone
CID 118666773
[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 129186980

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine?
The IUPAC name of [4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine (CID 144846953) is [4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine.
What is the SMILES notation for [4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine?
The canonical SMILES for [4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine is CCCn1c(C)c(C(=O)N2CCN(CCc3ccc(O)cc3)CC2)c2cc(OC)ccc21.CNC.
What is the InChIKey of [4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine?
The InChIKey is VIHMSLJEMIVUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3.C2H7N/c1-4-12-29-19(2)25(23-18-22(32-3)9-10-24(23)29)26(31)28-16-14-27(15-17-28)13-11-20-5-7-21(30)8-6-20;1-3-2/h5-10,18,30H,4,11-17H2,1-3H3;3H,1-2H3.
What are the key properties of [4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine?
[4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine has a molecular weight of 480.65 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine is sourced from PubChem (CID 144846953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).