ethyl 3-amino-2-[2-(4-methylpiperazin-1-yl)acetyl]indole-1-carboxylate

C18H24N4O3 — CID 170861183

IUPACethyl 3-amino-2-[2-(4-methylpiperazin-1-yl)acetyl]indole-1-carboxylate
SMILESCCOC(=O)n1c(C(=O)CN2CCN(C)CC2)c(N)c2ccccc21
InChIInChI=1S/C18H24N4O3/c1-3-25-18(24)22-14-7-5-4-6-13(14)16(19)17(22)15(23)12-21-10-8-20(2)9-11-21/h4-7H,3,8-12,19H2,1-2H3
InChIKeyOFDOPGOWICFCOT-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.66
Rot. Bonds4

About ethyl 3-amino-2-[2-(4-methylpiperazin-1-yl)acetyl]indole-1-carboxylate

ethyl 3-amino-2-[2-(4-methylpiperazin-1-yl)acetyl]indole-1-carboxylate (PubChem CID 170861183) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is ethyl 3-amino-2-[2-(4-methylpiperazin-1-yl)acetyl]indole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-[2-(4-methylpiperazin-1-yl)acetyl]indole-1-carboxylate
PubChem CID170861183
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Nameethyl 3-amino-2-[2-(4-methylpiperazin-1-yl)acetyl]indole-1-carboxylate
SMILESCCOC(=O)n1c(C(=O)CN2CCN(C)CC2)c(N)c2ccccc21
InChIInChI=1S/C18H24N4O3/c1-3-25-18(24)22-14-7-5-4-6-13(14)16(19)17(22)15(23)12-21-10-8-20(2)9-11-21/h4-7H,3,8-12,19H2,1-2H3
InChIKeyOFDOPGOWICFCOT-UHFFFAOYSA-N
XLogP1.66
TPSA80.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-amino-2-benzoylindole-1-carboxylate
CID 10638516
2-[2-methyl-3-[2-(4-methylpiperazin-1-yl)acetyl]indol-1-yl]acetic acid
CID 170861230
2-[3-[2-(4-methylpiperazin-1-yl)acetyl]indol-1-yl]acetic acid
CID 170861226
1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 122483255
1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 127044506
1-O-tert-butyl 2-O-ethyl 3-hydroxyindole-1,2-dicarboxylate
CID 133055982
ethyl 6-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-oxohexanoate
CID 24725514
1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone
CID 170861445
ethyl 2-carbazol-9-ylprop-2-enoate
CID 23150324
2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 43226564
diethyl pyrido[2,3-b]indole-3,9-dicarboxylate
CID 11723020
1-[5-(2-aminophenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861162

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-[2-(4-methylpiperazin-1-yl)acetyl]indole-1-carboxylate?
The IUPAC name of ethyl 3-amino-2-[2-(4-methylpiperazin-1-yl)acetyl]indole-1-carboxylate (CID 170861183) is ethyl 3-amino-2-[2-(4-methylpiperazin-1-yl)acetyl]indole-1-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-[2-(4-methylpiperazin-1-yl)acetyl]indole-1-carboxylate?
The canonical SMILES for ethyl 3-amino-2-[2-(4-methylpiperazin-1-yl)acetyl]indole-1-carboxylate is CCOC(=O)n1c(C(=O)CN2CCN(C)CC2)c(N)c2ccccc21.
What is the InChIKey of ethyl 3-amino-2-[2-(4-methylpiperazin-1-yl)acetyl]indole-1-carboxylate?
The InChIKey is OFDOPGOWICFCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-25-18(24)22-14-7-5-4-6-13(14)16(19)17(22)15(23)12-21-10-8-20(2)9-11-21/h4-7H,3,8-12,19H2,1-2H3.
What are the key properties of ethyl 3-amino-2-[2-(4-methylpiperazin-1-yl)acetyl]indole-1-carboxylate?
ethyl 3-amino-2-[2-(4-methylpiperazin-1-yl)acetyl]indole-1-carboxylate has a molecular weight of 344.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-[2-(4-methylpiperazin-1-yl)acetyl]indole-1-carboxylate is sourced from PubChem (CID 170861183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).