2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate

C26H38N4O5 — CID 69065258

IUPAC2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate
SMILESCOCCCn1cc(CN(C(=O)C2CNCC(NC(=O)OCCOC)C2)C2CC2)c2ccccc21
InChIInChI=1S/C26H38N4O5/c1-33-11-5-10-29-17-20(23-6-3-4-7-24(23)29)18-30(22-8-9-22)25(31)19-14-21(16-27-15-19)28-26(32)35-13-12-34-2/h3-4,6-7,17,19,21-22,27H,5,8-16,18H2,1-2H3,(H,28,32)
InChIKeyCNHWRANELCYVEL-UHFFFAOYSA-N
MW486.61 g/mol
LogP2.52
Rot. Bonds12

About 2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate

2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate (PubChem CID 69065258) has the molecular formula C26H38N4O5 and a molecular weight of 486.61 g/mol. Its IUPAC name is 2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate
PubChem CID69065258
Molecular FormulaC26H38N4O5
Molecular Weight486.61 g/mol
Exact Mass486.28
IUPAC Name2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate
SMILESCOCCCn1cc(CN(C(=O)C2CNCC(NC(=O)OCCOC)C2)C2CC2)c2ccccc21
InChIInChI=1S/C26H38N4O5/c1-33-11-5-10-29-17-20(23-6-3-4-7-24(23)29)18-30(22-8-9-22)25(31)19-14-21(16-27-15-19)28-26(32)35-13-12-34-2/h3-4,6-7,17,19,21-22,27H,5,8-16,18H2,1-2H3,(H,28,32)
InChIKeyCNHWRANELCYVEL-UHFFFAOYSA-N
XLogP2.52
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate?
The IUPAC name of 2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate (CID 69065258) is 2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate is COCCCn1cc(CN(C(=O)C2CNCC(NC(=O)OCCOC)C2)C2CC2)c2ccccc21.
What is the InChIKey of 2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate?
The InChIKey is CNHWRANELCYVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O5/c1-33-11-5-10-29-17-20(23-6-3-4-7-24(23)29)18-30(22-8-9-22)25(31)19-14-21(16-27-15-19)28-26(32)35-13-12-34-2/h3-4,6-7,17,19,21-22,27H,5,8-16,18H2,1-2H3,(H,28,32).
What are the key properties of 2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate?
2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate has a molecular weight of 486.61 g/mol, XLogP of 2.52, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 69065258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).