N-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide

C27H28N4O3 — CID 135537765

IUPACN-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc2c(c1)c(/N=N/C(=O)COc1ccc3ccccc3c1)c(O)n2CN1CCCCC1
InChIInChI=1S/C27H28N4O3/c1-19-9-12-24-23(15-19)26(27(33)31(24)18-30-13-5-2-6-14-30)29-28-25(32)17-34-22-11-10-20-7-3-4-8-21(20)16-22/h3-4,7-12,15-16,33H,2,5-6,13-14,17-18H2,1H3/b29-28+
InChIKeyQBOJWZURRXTSOY-ZQHSETAFSA-N
MW456.55 g/mol
LogP5.94
Rot. Bonds6

About N-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide

N-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide (PubChem CID 135537765) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
PubChem CID135537765
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc2c(c1)c(/N=N/C(=O)COc1ccc3ccccc3c1)c(O)n2CN1CCCCC1
InChIInChI=1S/C27H28N4O3/c1-19-9-12-24-23(15-19)26(27(33)31(24)18-30-13-5-2-6-14-30)29-28-25(32)17-34-22-11-10-20-7-3-4-8-21(20)16-22/h3-4,7-12,15-16,33H,2,5-6,13-14,17-18H2,1H3/b29-28+
InChIKeyQBOJWZURRXTSOY-ZQHSETAFSA-N
XLogP5.94
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide (CID 135537765) is N-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide is Cc1ccc2c(c1)c(/N=N/C(=O)COc1ccc3ccccc3c1)c(O)n2CN1CCCCC1.
What is the InChIKey of N-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide?
The InChIKey is QBOJWZURRXTSOY-ZQHSETAFSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-19-9-12-24-23(15-19)26(27(33)31(24)18-30-13-5-2-6-14-30)29-28-25(32)17-34-22-11-10-20-7-3-4-8-21(20)16-22/h3-4,7-12,15-16,33H,2,5-6,13-14,17-18H2,1H3/b29-28+.
What are the key properties of N-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide?
N-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide has a molecular weight of 456.55 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 135537765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).