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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Related Compounds

N-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide
CID 10390194
N-hydroxy-N-[(2R)-2-[(2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]hexyl]formamide
CID 10455515
N-[(2S)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
CID 87680112
N-hydroxy-N-[(2R)-4-methyl-2-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentyl]formamide
CID 87233721
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(6-oxo-1H-pyridin-2-yl)pyrrolidine-2-carboxamide
CID 58763262
N-[2-[2-(1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]heptyl]-N-hydroxyformamide
CID 75073607
N-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 20752901
N-[2-[amino-(6-morpholin-4-yl-7H-purin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide
CID 87263893
N-[(2R)-2-[4-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carbonyl]hexyl]-N-methylformamide
CID 142043188
N-hydroxy-N-[2-[[[5-(4-pyrimidin-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 87263925
2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one
CID 60853847
(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 122408081

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).