N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide

C13H26N4O2 — CID 107164956

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)NCC1(C)CCN(C)CC1)C(N)=NO
InChIInChI=1S/C13H26N4O2/c1-4-10(11(14)16-19)12(18)15-9-13(2)5-7-17(3)8-6-13/h10,19H,4-9H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyCJYSMVKCTFUBDB-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.61
Rot. Bonds5

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide

N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 107164956) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID107164956
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)NCC1(C)CCN(C)CC1)C(N)=NO
InChIInChI=1S/C13H26N4O2/c1-4-10(11(14)16-19)12(18)15-9-13(2)5-7-17(3)8-6-13/h10,19H,4-9H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyCJYSMVKCTFUBDB-UHFFFAOYSA-N
XLogP0.61
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.61
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-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide (CID 107164956) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide is CCC(C(=O)NCC1(C)CCN(C)CC1)C(N)=NO.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is CJYSMVKCTFUBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-4-10(11(14)16-19)12(18)15-9-13(2)5-7-17(3)8-6-13/h10,19H,4-9H2,1-3H3,(H2,14,16)(H,15,18).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 270.38 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide is sourced from PubChem (CID 107164956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).