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

C19H38N4O4 — CID 158875091

IUPAC(2S)-2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide;methane
SMILESC.CN(C)C(=O)[C@@H](NC(=O)C(CN(O)C=O)CN1CCCCC1)C(C)(C)C
InChIInChI=1S/C18H34N4O4.CH4/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);1H4/t14?,15-;/m1./s1
InChIKeyJCIIVINGIQQZAZ-NUNOUFIPSA-N
MW386.54 g/mol
LogP1.19
Rot. Bonds8

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

(2S)-2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide;methane (PubChem CID 158875091) has the molecular formula C19H38N4O4 and a molecular weight of 386.54 g/mol. Its IUPAC name is (2S)-2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide;methane.

Molecular Properties

Compound Name(2S)-2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide;methane
PubChem CID158875091
Molecular FormulaC19H38N4O4
Molecular Weight386.54 g/mol
Exact Mass386.29
IUPAC Name(2S)-2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide;methane
SMILESC.CN(C)C(=O)[C@@H](NC(=O)C(CN(O)C=O)CN1CCCCC1)C(C)(C)C
InChIInChI=1S/C18H34N4O4.CH4/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);1H4/t14?,15-;/m1./s1
InChIKeyJCIIVINGIQQZAZ-NUNOUFIPSA-N
XLogP1.19
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.19
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide;methane?
The IUPAC name of (2S)-2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide;methane (CID 158875091) is (2S)-2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide;methane.
What is the SMILES notation for (2S)-2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide;methane?
The canonical SMILES for (2S)-2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide;methane is C.CN(C)C(=O)[C@@H](NC(=O)C(CN(O)C=O)CN1CCCCC1)C(C)(C)C.
What is the InChIKey of (2S)-2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide;methane?
The InChIKey is JCIIVINGIQQZAZ-NUNOUFIPSA-N. The full InChI is InChI=1S/C18H34N4O4.CH4/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);1H4/t14?,15-;/m1./s1.
What are the key properties of (2S)-2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide;methane?
(2S)-2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide;methane has a molecular weight of 386.54 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide;methane is sourced from PubChem (CID 158875091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).