[1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone

C30H41FN4O2 — CID 129186935

IUPAC[1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESCCN(CC)CCCn1c(C)c(C(=O)N2CCN(CCc3cccc(F)c3)CC2)c2cc(OC)ccc21
InChIInChI=1S/C30H41FN4O2/c1-5-32(6-2)14-8-15-35-23(3)29(27-22-26(37-4)11-12-28(27)35)30(36)34-19-17-33(18-20-34)16-13-24-9-7-10-25(31)21-24/h7,9-12,21-22H,5-6,8,13-20H2,1-4H3
InChIKeyKDDXLVQRNKGYGV-UHFFFAOYSA-N
MW508.68 g/mol
LogP4.83
Rot. Bonds11

About [1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone

[1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 129186935) has the molecular formula C30H41FN4O2 and a molecular weight of 508.68 g/mol. Its IUPAC name is [1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone
PubChem CID129186935
Molecular FormulaC30H41FN4O2
Molecular Weight508.68 g/mol
Exact Mass508.32
IUPAC Name[1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESCCN(CC)CCCn1c(C)c(C(=O)N2CCN(CCc3cccc(F)c3)CC2)c2cc(OC)ccc21
InChIInChI=1S/C30H41FN4O2/c1-5-32(6-2)14-8-15-35-23(3)29(27-22-26(37-4)11-12-28(27)35)30(36)34-19-17-33(18-20-34)16-13-24-9-7-10-25(31)21-24/h7,9-12,21-22H,5-6,8,13-20H2,1-4H3
InChIKeyKDDXLVQRNKGYGV-UHFFFAOYSA-N
XLogP4.83
TPSA40.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.68
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-ethoxy-2-methylindol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 129186984
[9-[3-(diethylamino)propyl]carbazol-3-yl]-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(diethylamino)propyl]carbazol-3-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone;[9-[3-(dimethylamino)propyl]carbazol-3-yl]-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 160768802
[4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine
CID 144846953
(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
(E)-3-[1-[3-(diethylamino)propyl]-2,5-dimethylindol-3-yl]-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]prop-2-en-1-one
CID 129198799
(3-fluorophenyl)-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 110412308
[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 118666883
(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
(E)-3-[1-[3-(dimethylamino)propyl]-2,5-dimethylindol-3-yl]-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]prop-2-en-1-one
CID 129198830
[9-[3-(diethylamino)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 118666925
(1-ethyl-5-methoxy-2-methylindol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 4897477

Frequently Asked Questions

What is the IUPAC name of [1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of [1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone (CID 129186935) is [1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone is CCN(CC)CCCn1c(C)c(C(=O)N2CCN(CCc3cccc(F)c3)CC2)c2cc(OC)ccc21.
What is the InChIKey of [1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is KDDXLVQRNKGYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41FN4O2/c1-5-32(6-2)14-8-15-35-23(3)29(27-22-26(37-4)11-12-28(27)35)30(36)34-19-17-33(18-20-34)16-13-24-9-7-10-25(31)21-24/h7,9-12,21-22H,5-6,8,13-20H2,1-4H3.
What are the key properties of [1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone?
[1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 508.68 g/mol, XLogP of 4.83, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 129186935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).