[1-[2-[hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate

C23H35N5O5 — CID 158050171

IUPAC[1-[2-[hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate
SMILESCOc1ccc(N2CCCC(COC(N)=O)C2)c2c1CC(=NC(O)N1CCC(C)(O)CC1)N2
InChIInChI=1S/C23H35N5O5/c1-23(31)7-10-27(11-8-23)22(30)26-19-12-16-18(32-2)6-5-17(20(16)25-19)28-9-3-4-15(13-28)14-33-21(24)29/h5-6,15,22,30-31H,3-4,7-14H2,1-2H3,(H2,24,29)(H,25,26)
InChIKeyFJJOSXXGZLLTKO-UHFFFAOYSA-N
MW461.56 g/mol
LogP1.50
Rot. Bonds6

About [1-[2-[hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate

[1-[2-[hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate (PubChem CID 158050171) has the molecular formula C23H35N5O5 and a molecular weight of 461.56 g/mol. Its IUPAC name is [1-[2-[hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate.

Molecular Properties

Compound Name[1-[2-[hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate
PubChem CID158050171
Molecular FormulaC23H35N5O5
Molecular Weight461.56 g/mol
Exact Mass461.26
IUPAC Name[1-[2-[hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate
SMILESCOc1ccc(N2CCCC(COC(N)=O)C2)c2c1CC(=NC(O)N1CCC(C)(O)CC1)N2
InChIInChI=1S/C23H35N5O5/c1-23(31)7-10-27(11-8-23)22(30)26-19-12-16-18(32-2)6-5-17(20(16)25-19)28-9-3-4-15(13-28)14-33-21(24)29/h5-6,15,22,30-31H,3-4,7-14H2,1-2H3,(H2,24,29)(H,25,26)
InChIKeyFJJOSXXGZLLTKO-UHFFFAOYSA-N
XLogP1.50
TPSA132.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [1-[2-[hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-[hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate?
The IUPAC name of [1-[2-[hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate (CID 158050171) is [1-[2-[hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate.
What is the SMILES notation for [1-[2-[hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate?
The canonical SMILES for [1-[2-[hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate is COc1ccc(N2CCCC(COC(N)=O)C2)c2c1CC(=NC(O)N1CCC(C)(O)CC1)N2.
What is the InChIKey of [1-[2-[hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate?
The InChIKey is FJJOSXXGZLLTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O5/c1-23(31)7-10-27(11-8-23)22(30)26-19-12-16-18(32-2)6-5-17(20(16)25-19)28-9-3-4-15(13-28)14-33-21(24)29/h5-6,15,22,30-31H,3-4,7-14H2,1-2H3,(H2,24,29)(H,25,26).
What are the key properties of [1-[2-[hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate?
[1-[2-[hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate has a molecular weight of 461.56 g/mol, XLogP of 1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate is sourced from PubChem (CID 158050171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).