ethyl 2-[3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate

C27H35N3O2 — CID 67842030

IUPACethyl 2-[3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(CCN2CCN(c3ccccc3C(C)C)CC2)c2ccccc21
InChIInChI=1S/C27H35N3O2/c1-4-32-27(31)20-30-19-22(24-10-6-8-12-26(24)30)13-14-28-15-17-29(18-16-28)25-11-7-5-9-23(25)21(2)3/h5-12,19,21H,4,13-18,20H2,1-3H3
InChIKeyRLJCFXVHVZNLHH-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.69
Rot. Bonds8

About ethyl 2-[3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate

ethyl 2-[3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate (PubChem CID 67842030) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is ethyl 2-[3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate
PubChem CID67842030
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Nameethyl 2-[3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(CCN2CCN(c3ccccc3C(C)C)CC2)c2ccccc21
InChIInChI=1S/C27H35N3O2/c1-4-32-27(31)20-30-19-22(24-10-6-8-12-26(24)30)13-14-28-15-17-29(18-16-28)25-11-7-5-9-23(25)21(2)3/h5-12,19,21H,4,13-18,20H2,1-3H3
InChIKeyRLJCFXVHVZNLHH-UHFFFAOYSA-N
XLogP4.69
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate with MolForge

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Related Compounds

ethyl 2-[3-[2-[4-(2-piperidin-1-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate;hydrochloride
CID 139629694
ethyl 2-[3-[2-[4-(2-nitrophenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate
CID 139629760
ethyl 2-[3-[2-[4-(3,5-dichlorophenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate
CID 139629685
ethyl 2-[3-[2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]indol-1-yl]acetate
CID 139629777
ethyl 2-(3-ethylindol-1-yl)acetate
CID 59177495
2-[2-ethyl-3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetic acid
CID 67842032
ethyl 2-[3-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 58005918
2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
CID 117028316
ethyl 2-(3-benzylsulfanylindol-1-yl)acetate
CID 43949304
ethyl 2-(3-butanoylindol-1-yl)acetate
CID 4517747
methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate
CID 170891361
methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate
CID 654649

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate (CID 67842030) is ethyl 2-[3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate is CCOC(=O)Cn1cc(CCN2CCN(c3ccccc3C(C)C)CC2)c2ccccc21.
What is the InChIKey of ethyl 2-[3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate?
The InChIKey is RLJCFXVHVZNLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-4-32-27(31)20-30-19-22(24-10-6-8-12-26(24)30)13-14-28-15-17-29(18-16-28)25-11-7-5-9-23(25)21(2)3/h5-12,19,21H,4,13-18,20H2,1-3H3.
What are the key properties of ethyl 2-[3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate?
ethyl 2-[3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate has a molecular weight of 433.60 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]indol-1-yl]acetate is sourced from PubChem (CID 67842030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).