ethyl 1-(1-but-2-enyl-4-prop-2-enoxyindole-2-carbonyl)piperidine-4-carboxylate

C24H30N2O4 — CID 71958234

IUPACethyl 1-(1-but-2-enyl-4-prop-2-enoxyindole-2-carbonyl)piperidine-4-carboxylate
SMILESC=CCOc1cccc2c1cc(C(=O)N1CCC(C(=O)OCC)CC1)n2CC=CC
InChIInChI=1S/C24H30N2O4/c1-4-7-13-26-20-9-8-10-22(30-16-5-2)19(20)17-21(26)23(27)25-14-11-18(12-15-25)24(28)29-6-3/h4-5,7-10,17-18H,2,6,11-16H2,1,3H3
InChIKeyMJYVKAOPCHCTLF-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.20
Rot. Bonds8

About ethyl 1-(1-but-2-enyl-4-prop-2-enoxyindole-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(1-but-2-enyl-4-prop-2-enoxyindole-2-carbonyl)piperidine-4-carboxylate (PubChem CID 71958234) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is ethyl 1-(1-but-2-enyl-4-prop-2-enoxyindole-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-but-2-enyl-4-prop-2-enoxyindole-2-carbonyl)piperidine-4-carboxylate
PubChem CID71958234
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Nameethyl 1-(1-but-2-enyl-4-prop-2-enoxyindole-2-carbonyl)piperidine-4-carboxylate
SMILESC=CCOc1cccc2c1cc(C(=O)N1CCC(C(=O)OCC)CC1)n2CC=CC
InChIInChI=1S/C24H30N2O4/c1-4-7-13-26-20-9-8-10-22(30-16-5-2)19(20)17-21(26)23(27)25-14-11-18(12-15-25)24(28)29-6-3/h4-5,7-10,17-18H,2,6,11-16H2,1,3H3
InChIKeyMJYVKAOPCHCTLF-UHFFFAOYSA-N
XLogP4.20
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindol-2-yl]-piperidin-1-ylmethanone
CID 42667129
1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide
CID 42807253
[1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxyindol-2-yl]-pyrrolidin-1-ylmethanone
CID 42667209
[1-[(2,5-difluorophenyl)methyl]-4-prop-2-enoxyindol-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42667233
[4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 42667282
ethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 42790807
ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 35763507
ethyl 1-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperidine-4-carboxylate
CID 27555107
ethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate
CID 54838112
(4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone
CID 42666955
3-[1-[1-[(3-fluorophenyl)methyl]-4-prop-2-enoxyindole-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 83279314
N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804621

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-but-2-enyl-4-prop-2-enoxyindole-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1-but-2-enyl-4-prop-2-enoxyindole-2-carbonyl)piperidine-4-carboxylate (CID 71958234) is ethyl 1-(1-but-2-enyl-4-prop-2-enoxyindole-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-but-2-enyl-4-prop-2-enoxyindole-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1-but-2-enyl-4-prop-2-enoxyindole-2-carbonyl)piperidine-4-carboxylate is C=CCOc1cccc2c1cc(C(=O)N1CCC(C(=O)OCC)CC1)n2CC=CC.
What is the InChIKey of ethyl 1-(1-but-2-enyl-4-prop-2-enoxyindole-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is MJYVKAOPCHCTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-4-7-13-26-20-9-8-10-22(30-16-5-2)19(20)17-21(26)23(27)25-14-11-18(12-15-25)24(28)29-6-3/h4-5,7-10,17-18H,2,6,11-16H2,1,3H3.
What are the key properties of ethyl 1-(1-but-2-enyl-4-prop-2-enoxyindole-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(1-but-2-enyl-4-prop-2-enoxyindole-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 410.51 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-but-2-enyl-4-prop-2-enoxyindole-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 71958234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).