N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]-2-methoxyacetamide

C10H20N4O3 — CID 61278379

IUPACN-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1(/C(N)=N/O)CCN(C)CC1
InChIInChI=1S/C10H20N4O3/c1-14-5-3-10(4-6-14,9(11)13-16)12-8(15)7-17-2/h16H,3-7H2,1-2H3,(H2,11,13)(H,12,15)
InChIKeySRLYOGJYVUMQBJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP-1.04
Rot. Bonds4

About N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]-2-methoxyacetamide

N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]-2-methoxyacetamide (PubChem CID 61278379) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]-2-methoxyacetamide
PubChem CID61278379
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC NameN-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1(/C(N)=N/O)CCN(C)CC1
InChIInChI=1S/C10H20N4O3/c1-14-5-3-10(4-6-14,9(11)13-16)12-8(15)7-17-2/h16H,3-7H2,1-2H3,(H2,11,13)(H,12,15)
InChIKeySRLYOGJYVUMQBJ-UHFFFAOYSA-N
XLogP-1.04
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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]-2-methoxyacetamide?
The IUPAC name of N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]-2-methoxyacetamide (CID 61278379) is N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]-2-methoxyacetamide is COCC(=O)NC1(/C(N)=N/O)CCN(C)CC1.
What is the InChIKey of N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]-2-methoxyacetamide?
The InChIKey is SRLYOGJYVUMQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-14-5-3-10(4-6-14,9(11)13-16)12-8(15)7-17-2/h16H,3-7H2,1-2H3,(H2,11,13)(H,12,15).
What are the key properties of N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]-2-methoxyacetamide?
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]-2-methoxyacetamide has a molecular weight of 244.29 g/mol, XLogP of -1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 61278379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).