N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide

C12H24N4O2 — CID 77002434

IUPACN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CCN(CC(N)=NO)CC1
InChIInChI=1S/C12H24N4O2/c1-3-9(2)12(17)14-10-4-6-16(7-5-10)8-11(13)15-18/h9-10,18H,3-8H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyZSCWPUAFVHKPEW-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.36
Rot. Bonds5

About N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide

N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide (PubChem CID 77002434) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide
PubChem CID77002434
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CCN(CC(N)=NO)CC1
InChIInChI=1S/C12H24N4O2/c1-3-9(2)12(17)14-10-4-6-16(7-5-10)8-11(13)15-18/h9-10,18H,3-8H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyZSCWPUAFVHKPEW-UHFFFAOYSA-N
XLogP0.36
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide 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

1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea
CID 55250006
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 77115236
1-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 104858961
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 77002400
2-[4-(cyclopropylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide
CID 104978488
2-methyl-3-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 119841116
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide
CID 63626471
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 119853535
2-[4-(pentan-3-ylamino)piperidin-1-yl]acetamide
CID 43746855
N-[1-[(2E)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-chlorothiophene-2-carboxamide
CID 80641295
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-2-carboxamide
CID 77002384

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide?
The IUPAC name of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide (CID 77002434) is N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide.
What is the SMILES notation for N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide?
The canonical SMILES for N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide is CCC(C)C(=O)NC1CCN(CC(N)=NO)CC1.
What is the InChIKey of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide?
The InChIKey is ZSCWPUAFVHKPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-3-9(2)12(17)14-10-4-6-16(7-5-10)8-11(13)15-18/h9-10,18H,3-8H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide?
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide has a molecular weight of 256.35 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide is sourced from PubChem (CID 77002434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).