3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide

C10H20N4O2 — CID 76930279

IUPAC3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide
SMILESCN1CCCCC1CNC(=O)CC(N)=NO
InChIInChI=1S/C10H20N4O2/c1-14-5-3-2-4-8(14)7-12-10(15)6-9(11)13-16/h8,16H,2-7H2,1H3,(H2,11,13)(H,12,15)
InChIKeySUWLBUUUVIWXDR-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.28
Rot. Bonds4

About 3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide

3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide (PubChem CID 76930279) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide
PubChem CID76930279
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide
SMILESCN1CCCCC1CNC(=O)CC(N)=NO
InChIInChI=1S/C10H20N4O2/c1-14-5-3-2-4-8(14)7-12-10(15)6-9(11)13-16/h8,16H,2-7H2,1H3,(H2,11,13)(H,12,15)
InChIKeySUWLBUUUVIWXDR-UHFFFAOYSA-N
XLogP-0.28
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.28
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'}

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Related Compounds

(3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide
CID 43371707
2-(N'-hydroxycarbamimidoyl)-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 76923658
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
2-(2-aminoethoxy)-N-[(1-methylpiperidin-2-yl)methyl]acetamide
CID 79478680
1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine
CID 62364218
2-[(1-methylpiperidin-2-yl)methylamino]ethylurea
CID 83111623
N-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide
CID 107941722
N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106022346
3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 106019321
(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 79023299
3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 76947376
N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide
CID 107027013

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide (CID 76930279) is 3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide is CN1CCCCC1CNC(=O)CC(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide?
The InChIKey is SUWLBUUUVIWXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-14-5-3-2-4-8(14)7-12-10(15)6-9(11)13-16/h8,16H,2-7H2,1H3,(H2,11,13)(H,12,15).
What are the key properties of 3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide?
3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide has a molecular weight of 228.30 g/mol, XLogP of -0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide is sourced from PubChem (CID 76930279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).