(3Z)-3-amino-3-hydroxyimino-N-[(1-methylpiperidin-4-yl)methyl]propanamide

C10H20N4O2 — CID 55030949

IUPAC(3Z)-3-amino-3-hydroxyimino-N-[(1-methylpiperidin-4-yl)methyl]propanamide
SMILESCN1CCC(CNC(=O)C/C(N)=N/O)CC1
InChIInChI=1S/C10H20N4O2/c1-14-4-2-8(3-5-14)7-12-10(15)6-9(11)13-16/h8,16H,2-7H2,1H3,(H2,11,13)(H,12,15)
InChIKeySFFPHKIDGSUNAU-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.42
Rot. Bonds4

About (3Z)-3-amino-3-hydroxyimino-N-[(1-methylpiperidin-4-yl)methyl]propanamide

(3Z)-3-amino-3-hydroxyimino-N-[(1-methylpiperidin-4-yl)methyl]propanamide (PubChem CID 55030949) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-[(1-methylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-[(1-methylpiperidin-4-yl)methyl]propanamide
PubChem CID55030949
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-[(1-methylpiperidin-4-yl)methyl]propanamide
SMILESCN1CCC(CNC(=O)C/C(N)=N/O)CC1
InChIInChI=1S/C10H20N4O2/c1-14-4-2-8(3-5-14)7-12-10(15)6-9(11)13-16/h8,16H,2-7H2,1H3,(H2,11,13)(H,12,15)
InChIKeySFFPHKIDGSUNAU-UHFFFAOYSA-N
XLogP-0.42
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 ≤ 5-0.42
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-[(1-methylpiperidin-4-yl)methyl]propanamide (CID 55030949) is (3Z)-3-amino-3-hydroxyimino-N-[(1-methylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-[(1-methylpiperidin-4-yl)methyl]propanamide is CN1CCC(CNC(=O)C/C(N)=N/O)CC1.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
The InChIKey is SFFPHKIDGSUNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-14-4-2-8(3-5-14)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 (3Z)-3-amino-3-hydroxyimino-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
(3Z)-3-amino-3-hydroxyimino-N-[(1-methylpiperidin-4-yl)methyl]propanamide has a molecular weight of 228.30 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-[(1-methylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 55030949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).