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

C12H24N4O2 — CID 76926414

IUPACN-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)NC1CCCN(CC)C1)C(N)=NO
InChIInChI=1S/C12H24N4O2/c1-3-10(11(13)15-18)12(17)14-9-6-5-7-16(4-2)8-9/h9-10,18H,3-8H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyNEKKPVMGIFRUND-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.36
Rot. Bonds5

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

N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 76926414) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID76926414
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)NC1CCCN(CC)C1)C(N)=NO
InChIInChI=1S/C12H24N4O2/c1-3-10(11(13)15-18)12(17)14-9-6-5-7-16(4-2)8-9/h9-10,18H,3-8H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyNEKKPVMGIFRUND-UHFFFAOYSA-N
XLogP0.36
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.36
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)-3-methylbutanamide
CID 76926150
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925874
2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide
CID 76924802
2-bromo-N-(1-ethylpiperidin-3-yl)butanamide
CID 62854187
N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926462
2-(N'-hydroxycarbamimidoyl)-N-(4-methylcyclohexyl)butanamide
CID 76924596
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide
CID 76925140
N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77037476
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
N-(1-ethylpiperidin-3-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76921404
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide (CID 76926414) is N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide is CCC(C(=O)NC1CCCN(CC)C1)C(N)=NO.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is NEKKPVMGIFRUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-3-10(11(13)15-18)12(17)14-9-6-5-7-16(4-2)8-9/h9-10,18H,3-8H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide?
N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 256.35 g/mol, XLogP of 0.36, 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)butanamide is sourced from PubChem (CID 76926414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).