2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide

C12H24N4O2 — CID 76924802

IUPAC2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide
SMILESCCCC(C(=O)NC1CCCN(C)C1)C(N)=NO
InChIInChI=1S/C12H24N4O2/c1-3-5-10(11(13)15-18)12(17)14-9-6-4-7-16(2)8-9/h9-10,18H,3-8H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyPPRYYBWXJWJRDT-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.36
Rot. Bonds5

About 2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide

2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide (PubChem CID 76924802) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide
PubChem CID76924802
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide
SMILESCCCC(C(=O)NC1CCCN(C)C1)C(N)=NO
InChIInChI=1S/C12H24N4O2/c1-3-5-10(11(13)15-18)12(17)14-9-6-4-7-16(2)8-9/h9-10,18H,3-8H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyPPRYYBWXJWJRDT-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'}

Analyze 2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926462
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926414
2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide
CID 104861584
N-(2,2-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 79872575
2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide
CID 76925702
N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 77050596
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 76925984
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925874
1-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)cycloheptane-1-carboxamide
CID 76920923
N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide
CID 167206837
N-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 77014685

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide (CID 76924802) is 2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide is CCCC(C(=O)NC1CCCN(C)C1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide?
The InChIKey is PPRYYBWXJWJRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-3-5-10(11(13)15-18)12(17)14-9-6-4-7-16(2)8-9/h9-10,18H,3-8H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide?
2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide 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 2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide is sourced from PubChem (CID 76924802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).