2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide

C18H34N4O4 — CID 22673441

IUPAC2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide
SMILESCN(C)C(=O)C(NC(=O)C(CN(O)C=O)CN1CCCCC1)C(C)(C)C
InChIInChI=1S/C18H34N4O4/c1-18(2,3)15(17(25)20(4)5)19-16(24)14(12-22(26)13-23)11-21-9-7-6-8-10-21/h13-15,26H,6-12H2,1-5H3,(H,19,24)
InChIKeyTZPOFWJXWXIVIH-UHFFFAOYSA-N
MW370.49 g/mol
LogP0.56
Rot. Bonds8

About 2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide

2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide (PubChem CID 22673441) has the molecular formula C18H34N4O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide.

Molecular Properties

Compound Name2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide
PubChem CID22673441
Molecular FormulaC18H34N4O4
Molecular Weight370.49 g/mol
Exact Mass370.26
IUPAC Name2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide
SMILESCN(C)C(=O)C(NC(=O)C(CN(O)C=O)CN1CCCCC1)C(C)(C)C
InChIInChI=1S/C18H34N4O4/c1-18(2,3)15(17(25)20(4)5)19-16(24)14(12-22(26)13-23)11-21-9-7-6-8-10-21/h13-15,26H,6-12H2,1-5H3,(H,19,24)
InChIKeyTZPOFWJXWXIVIH-UHFFFAOYSA-N
XLogP0.56
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 50.56
H-Bond Donors ≤ 52
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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Related Compounds

(2S)-2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide;methane
CID 158875091
N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide
CID 59902226
(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 122408081
2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-piperidin-4-ylbutanamide
CID 76843012
N-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 20752901
(2S)-2-[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-N,3,3-trimethylbutanamide
CID 58628935
(2R)-N-[(2S)-1-(4-acetylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide
CID 59921618
methyl 1-[2-[2-[[formyl(hydroxy)amino]methyl]hexanoylamino]-3,3-dimethylbutanoyl]piperidine-4-carboxylate
CID 22096255
(2S)-2-[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N,3,3-trimethylbutanamide
CID 58628941
2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide
CID 89282907
(2S)-2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethyl-N-[1-(1,2,5-trimethylpyrrole-3-carbonyl)piperidin-4-yl]butanamide
CID 142820471
N-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]-2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N,3,3-trimethylbutanamide
CID 76842978

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide?
The IUPAC name of 2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide (CID 22673441) is 2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide.
What is the SMILES notation for 2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide?
The canonical SMILES for 2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide is CN(C)C(=O)C(NC(=O)C(CN(O)C=O)CN1CCCCC1)C(C)(C)C.
What is the InChIKey of 2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide?
The InChIKey is TZPOFWJXWXIVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O4/c1-18(2,3)15(17(25)20(4)5)19-16(24)14(12-22(26)13-23)11-21-9-7-6-8-10-21/h13-15,26H,6-12H2,1-5H3,(H,19,24).
What are the key properties of 2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide?
2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide has a molecular weight of 370.49 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide is sourced from PubChem (CID 22673441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).