N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide

C13H26N4O2 — CID 76926150

IUPACN-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
SMILESCCN1CCCC(NC(=O)C(C(N)=NO)C(C)C)C1
InChIInChI=1S/C13H26N4O2/c1-4-17-7-5-6-10(8-17)15-13(18)11(9(2)3)12(14)16-19/h9-11,19H,4-8H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyBZSBWWVUABBFGK-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.61
Rot. Bonds5

About N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide

N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide (PubChem CID 76926150) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
PubChem CID76926150
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
SMILESCCN1CCCC(NC(=O)C(C(N)=NO)C(C)C)C1
InChIInChI=1S/C13H26N4O2/c1-4-17-7-5-6-10(8-17)15-13(18)11(9(2)3)12(14)16-19/h9-11,19H,4-8H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyBZSBWWVUABBFGK-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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Related Compounds

N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926414
N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925273
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 76925984
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
N-(1-ethylpiperidin-3-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76921404
2-cyano-N-(1-ethylpiperidin-3-yl)propanamide
CID 55208553
2-bromo-N-(1-ethylpiperidin-3-yl)butanamide
CID 62854187
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(4-methylcyclohexyl)butanamide
CID 76924598
N-(1-ethylpiperidin-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76921455
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925170

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide (CID 76926150) is N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide is CCN1CCCC(NC(=O)C(C(N)=NO)C(C)C)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
The InChIKey is BZSBWWVUABBFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-4-17-7-5-6-10(8-17)15-13(18)11(9(2)3)12(14)16-19/h9-11,19H,4-8H2,1-3H3,(H2,14,16)(H,15,18).
What are the key properties of N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide 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-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide is sourced from PubChem (CID 76926150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).