N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]acetamide

C9H18N4O2 — CID 54593183

IUPACN-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(/C(N)=N/O)CCN(C)CC1
InChIInChI=1S/C9H18N4O2/c1-7(14)11-9(8(10)12-15)3-5-13(2)6-4-9/h15H,3-6H2,1-2H3,(H2,10,12)(H,11,14)
InChIKeyFACHJLNJAIQDKR-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.67
Rot. Bonds2

About N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]acetamide

N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]acetamide (PubChem CID 54593183) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]acetamide
PubChem CID54593183
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC NameN-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(/C(N)=N/O)CCN(C)CC1
InChIInChI=1S/C9H18N4O2/c1-7(14)11-9(8(10)12-15)3-5-13(2)6-4-9/h15H,3-6H2,1-2H3,(H2,10,12)(H,11,14)
InChIKeyFACHJLNJAIQDKR-UHFFFAOYSA-N
XLogP-0.67
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.67
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 N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]acetamide?
The IUPAC name of N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]acetamide (CID 54593183) is N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]acetamide is CC(=O)NC1(/C(N)=N/O)CCN(C)CC1.
What is the InChIKey of N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]acetamide?
The InChIKey is FACHJLNJAIQDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-7(14)11-9(8(10)12-15)3-5-13(2)6-4-9/h15H,3-6H2,1-2H3,(H2,10,12)(H,11,14).
What are the key properties of N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]acetamide?
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]acetamide has a molecular weight of 214.27 g/mol, XLogP of -0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 54593183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).