N-hydroxy-N-[2-[4-(1H-indol-7-yl)piperazine-1-carbonyl]hexyl]formamide

C20H28N4O3 — CID 22594056

IUPACN-hydroxy-N-[2-[4-(1H-indol-7-yl)piperazine-1-carbonyl]hexyl]formamide
SMILESCCCCC(CN(O)C=O)C(=O)N1CCN(c2cccc3cc[nH]c23)CC1
InChIInChI=1S/C20H28N4O3/c1-2-3-5-17(14-24(27)15-25)20(26)23-12-10-22(11-13-23)18-7-4-6-16-8-9-21-19(16)18/h4,6-9,15,17,21,27H,2-3,5,10-14H2,1H3
InChIKeyYUFNRMZQTJQZLJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.47
Rot. Bonds8

About N-hydroxy-N-[2-[4-(1H-indol-7-yl)piperazine-1-carbonyl]hexyl]formamide

N-hydroxy-N-[2-[4-(1H-indol-7-yl)piperazine-1-carbonyl]hexyl]formamide (PubChem CID 22594056) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-hydroxy-N-[2-[4-(1H-indol-7-yl)piperazine-1-carbonyl]hexyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[2-[4-(1H-indol-7-yl)piperazine-1-carbonyl]hexyl]formamide
PubChem CID22594056
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-hydroxy-N-[2-[4-(1H-indol-7-yl)piperazine-1-carbonyl]hexyl]formamide
SMILESCCCCC(CN(O)C=O)C(=O)N1CCN(c2cccc3cc[nH]c23)CC1
InChIInChI=1S/C20H28N4O3/c1-2-3-5-17(14-24(27)15-25)20(26)23-12-10-22(11-13-23)18-7-4-6-16-8-9-21-19(16)18/h4,6-9,15,17,21,27H,2-3,5,10-14H2,1H3
InChIKeyYUFNRMZQTJQZLJ-UHFFFAOYSA-N
XLogP2.47
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[2-[4-(1H-indol-7-yl)piperazine-1-carbonyl]hexyl]formamide?
The IUPAC name of N-hydroxy-N-[2-[4-(1H-indol-7-yl)piperazine-1-carbonyl]hexyl]formamide (CID 22594056) is N-hydroxy-N-[2-[4-(1H-indol-7-yl)piperazine-1-carbonyl]hexyl]formamide.
What is the SMILES notation for N-hydroxy-N-[2-[4-(1H-indol-7-yl)piperazine-1-carbonyl]hexyl]formamide?
The canonical SMILES for N-hydroxy-N-[2-[4-(1H-indol-7-yl)piperazine-1-carbonyl]hexyl]formamide is CCCCC(CN(O)C=O)C(=O)N1CCN(c2cccc3cc[nH]c23)CC1.
What is the InChIKey of N-hydroxy-N-[2-[4-(1H-indol-7-yl)piperazine-1-carbonyl]hexyl]formamide?
The InChIKey is YUFNRMZQTJQZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-2-3-5-17(14-24(27)15-25)20(26)23-12-10-22(11-13-23)18-7-4-6-16-8-9-21-19(16)18/h4,6-9,15,17,21,27H,2-3,5,10-14H2,1H3.
What are the key properties of N-hydroxy-N-[2-[4-(1H-indol-7-yl)piperazine-1-carbonyl]hexyl]formamide?
N-hydroxy-N-[2-[4-(1H-indol-7-yl)piperazine-1-carbonyl]hexyl]formamide has a molecular weight of 372.47 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[2-[4-(1H-indol-7-yl)piperazine-1-carbonyl]hexyl]formamide is sourced from PubChem (CID 22594056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).