ethyl 4-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]piperidine-1-carboxylate

C22H31N3O3 — CID 56832561

IUPACethyl 4-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CCC(N3C(=O)Cc4ccccc43)CC2)CC1
InChIInChI=1S/C22H31N3O3/c1-2-28-22(27)24-13-7-17(8-14-24)16-23-11-9-19(10-12-23)25-20-6-4-3-5-18(20)15-21(25)26/h3-6,17,19H,2,7-16H2,1H3
InChIKeyRRTGKUQTNXZEPG-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.91
Rot. Bonds4

About ethyl 4-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]piperidine-1-carboxylate

ethyl 4-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]piperidine-1-carboxylate (PubChem CID 56832561) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is ethyl 4-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]piperidine-1-carboxylate
PubChem CID56832561
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Nameethyl 4-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CCC(N3C(=O)Cc4ccccc43)CC2)CC1
InChIInChI=1S/C22H31N3O3/c1-2-28-22(27)24-13-7-17(8-14-24)16-23-11-9-19(10-12-23)25-20-6-4-3-5-18(20)15-21(25)26/h3-6,17,19H,2,7-16H2,1H3
InChIKeyRRTGKUQTNXZEPG-UHFFFAOYSA-N
XLogP2.91
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]piperidine-1-carboxylate (CID 56832561) is ethyl 4-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(CN2CCC(N3C(=O)Cc4ccccc43)CC2)CC1.
What is the InChIKey of ethyl 4-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]piperidine-1-carboxylate?
The InChIKey is RRTGKUQTNXZEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-2-28-22(27)24-13-7-17(8-14-24)16-23-11-9-19(10-12-23)25-20-6-4-3-5-18(20)15-21(25)26/h3-6,17,19H,2,7-16H2,1H3.
What are the key properties of ethyl 4-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]piperidine-1-carboxylate?
ethyl 4-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]piperidine-1-carboxylate has a molecular weight of 385.51 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 56832561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).