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'}

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

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

Launch Full Analysis

Related Compounds

(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 122408081
methyl 1-[2-[2-[[formyl(hydroxy)amino]methyl]hexanoylamino]-3,3-dimethylbutanoyl]piperidine-4-carboxylate
CID 22096255
(2R)-N-[(2S)-1-(4-acetylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide
CID 59921618
(2R)-N-[3,3-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 90737405
N-[1-[2-[2-[[formyl(hydroxy)amino]methyl]hexanoylamino]-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide
CID 72567609
N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide
CID 59902226
(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]hexanamide;(2R)-2-[[formyl(methyl)amino]methyl]-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]hexanamide
CID 160750496
N-(3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 20752860
(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-(furan-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]hexanamide
CID 21305227
N-(2-acetylhexyl)-N-hydroxyformamide
CID 142881718
(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)butan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 52933515
(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-(4,5,6,7-tetrafluoro-1,3-dihydroisoindol-2-yl)piperidin-1-yl]butan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 74220896

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).