N-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide

C18H34N4O4 — CID 20752901

IUPACN-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide
SMILESCCCCC(CN(O)C=O)C(=O)NC(C(=O)N1CCNCC1)C(C)(C)C
InChIInChI=1S/C18H34N4O4/c1-5-6-7-14(12-22(26)13-23)16(24)20-15(18(2,3)4)17(25)21-10-8-19-9-11-21/h13-15,19,26H,5-12H2,1-4H3,(H,20,24)
InChIKeyQOZQPDLQSVDQFF-UHFFFAOYSA-N
MW370.49 g/mol
LogP0.60
Rot. Bonds9

About N-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide

N-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide (PubChem CID 20752901) has the molecular formula C18H34N4O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide
PubChem CID20752901
Molecular FormulaC18H34N4O4
Molecular Weight370.49 g/mol
Exact Mass370.26
IUPAC NameN-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide
SMILESCCCCC(CN(O)C=O)C(=O)NC(C(=O)N1CCNCC1)C(C)(C)C
InChIInChI=1S/C18H34N4O4/c1-5-6-7-14(12-22(26)13-23)16(24)20-15(18(2,3)4)17(25)21-10-8-19-9-11-21/h13-15,19,26H,5-12H2,1-4H3,(H,20,24)
InChIKeyQOZQPDLQSVDQFF-UHFFFAOYSA-N
XLogP0.60
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide?
The IUPAC name of N-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide (CID 20752901) is N-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide.
What is the SMILES notation for N-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide?
The canonical SMILES for N-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide is CCCCC(CN(O)C=O)C(=O)NC(C(=O)N1CCNCC1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide?
The InChIKey is QOZQPDLQSVDQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O4/c1-5-6-7-14(12-22(26)13-23)16(24)20-15(18(2,3)4)17(25)21-10-8-19-9-11-21/h13-15,19,26H,5-12H2,1-4H3,(H,20,24).
What are the key properties of N-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide?
N-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide has a molecular weight of 370.49 g/mol, XLogP of 0.60, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide is sourced from PubChem (CID 20752901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).