ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate

C19H23N3O3 — CID 113209136

IUPACethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2(c3c[nH]c4ccccc34)CC2)CC1
InChIInChI=1S/C19H23N3O3/c1-2-25-18(24)22-11-9-21(10-12-22)17(23)19(7-8-19)15-13-20-16-6-4-3-5-14(15)16/h3-6,13,20H,2,7-12H2,1H3
InChIKeyUOSUGESQBXKXTM-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.50
Rot. Bonds3

About ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate

ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate (PubChem CID 113209136) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
PubChem CID113209136
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2(c3c[nH]c4ccccc34)CC2)CC1
InChIInChI=1S/C19H23N3O3/c1-2-25-18(24)22-11-9-21(10-12-22)17(23)19(7-8-19)15-13-20-16-6-4-3-5-14(15)16/h3-6,13,20H,2,7-12H2,1H3
InChIKeyUOSUGESQBXKXTM-UHFFFAOYSA-N
XLogP2.50
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate
CID 113208970
[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888926
ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
[1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone
CID 113210923
N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209079
[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113210609
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone
CID 113210788
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
CID 113084659
1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 113209182
4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
CID 113210567
[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 113210608
1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113209078

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate (CID 113209136) is ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2(c3c[nH]c4ccccc34)CC2)CC1.
What is the InChIKey of ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate?
The InChIKey is UOSUGESQBXKXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-25-18(24)22-11-9-21(10-12-22)17(23)19(7-8-19)15-13-20-16-6-4-3-5-14(15)16/h3-6,13,20H,2,7-12H2,1H3.
What are the key properties of ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate?
ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 113209136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).