4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate

C21H31N3O3 — CID 142627288

IUPAC4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate
SMILESCCN1CCC(c2c[nH]c3ccc(NC(=O)OCCCCOC)cc23)CC1
InChIInChI=1S/C21H31N3O3/c1-3-24-10-8-16(9-11-24)19-15-22-20-7-6-17(14-18(19)20)23-21(25)27-13-5-4-12-26-2/h6-7,14-16,22H,3-5,8-13H2,1-2H3,(H,23,25)
InChIKeyPVYJDSADKLNXNN-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.34
Rot. Bonds8

About 4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate

4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate (PubChem CID 142627288) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate.

Molecular Properties

Compound Name4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate
PubChem CID142627288
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate
SMILESCCN1CCC(c2c[nH]c3ccc(NC(=O)OCCCCOC)cc23)CC1
InChIInChI=1S/C21H31N3O3/c1-3-24-10-8-16(9-11-24)19-15-22-20-7-6-17(14-18(19)20)23-21(25)27-13-5-4-12-26-2/h6-7,14-16,22H,3-5,8-13H2,1-2H3,(H,23,25)
InChIKeyPVYJDSADKLNXNN-UHFFFAOYSA-N
XLogP4.34
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate?
The IUPAC name of 4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate (CID 142627288) is 4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate.
What is the SMILES notation for 4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate?
The canonical SMILES for 4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate is CCN1CCC(c2c[nH]c3ccc(NC(=O)OCCCCOC)cc23)CC1.
What is the InChIKey of 4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate?
The InChIKey is PVYJDSADKLNXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-3-24-10-8-16(9-11-24)19-15-22-20-7-6-17(14-18(19)20)23-21(25)27-13-5-4-12-26-2/h6-7,14-16,22H,3-5,8-13H2,1-2H3,(H,23,25).
What are the key properties of 4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate?
4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate has a molecular weight of 373.50 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate is sourced from PubChem (CID 142627288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).