ethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate

C20H26N2O2 — CID 174420419

IUPACethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc2ccn(C3CCN(CC)CC3)c2c1
InChIInChI=1S/C20H26N2O2/c1-3-21-12-10-18(11-13-21)22-14-9-17-7-5-16(15-19(17)22)6-8-20(23)24-4-2/h5-9,14-15,18H,3-4,10-13H2,1-2H3
InChIKeyIFPIVLKRWABEQZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.87
Rot. Bonds5

About ethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate

ethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate (PubChem CID 174420419) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is ethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate
PubChem CID174420419
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Nameethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc2ccn(C3CCN(CC)CC3)c2c1
InChIInChI=1S/C20H26N2O2/c1-3-21-12-10-18(11-13-21)22-14-9-17-7-5-16(15-19(17)22)6-8-20(23)24-4-2/h5-9,14-15,18H,3-4,10-13H2,1-2H3
InChIKeyIFPIVLKRWABEQZ-UHFFFAOYSA-N
XLogP3.87
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-3-[2-(1-hydroxycyclobutyl)-1-methylindol-6-yl]prop-2-enoate
CID 58866286
ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
CID 131876701
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene
CID 174406015
1-cyclobutylindole-6-carbaldehyde
CID 115115247
ethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate
CID 169480918
5-(3-ethoxy-3-oxoprop-1-enyl)-1-benzofuran-2-carboxylic acid
CID 169480947
ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate
CID 169480915
ethyl 3-(3-piperidin-1-ylphenyl)prop-2-enoate
CID 169480960
(1-piperidin-4-ylindol-6-yl) acetate;hydrochloride
CID 174552539
ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate
CID 169480077
ethyl 3-[3-amino-4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 2749811

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate?
The IUPAC name of ethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate (CID 174420419) is ethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate?
The canonical SMILES for ethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate is CCOC(=O)C=Cc1ccc2ccn(C3CCN(CC)CC3)c2c1.
What is the InChIKey of ethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate?
The InChIKey is IFPIVLKRWABEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-21-12-10-18(11-13-21)22-14-9-17-7-5-16(15-19(17)22)6-8-20(23)24-4-2/h5-9,14-15,18H,3-4,10-13H2,1-2H3.
What are the key properties of ethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate?
ethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate has a molecular weight of 326.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate is sourced from PubChem (CID 174420419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).