N-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide

C13H22N4O3 — CID 102736850

IUPACN-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)C2(C(N)=NO)CC2)CC1
InChIInChI=1S/C13H22N4O3/c1-9(18)15-8-10-2-6-17(7-3-10)12(19)13(4-5-13)11(14)16-20/h10,20H,2-8H2,1H3,(H2,14,16)(H,15,18)
InChIKeyWQASSECUEVVSIM-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.11
Rot. Bonds4

About N-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide

N-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102736850) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
PubChem CID102736850
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)C2(C(N)=NO)CC2)CC1
InChIInChI=1S/C13H22N4O3/c1-9(18)15-8-10-2-6-17(7-3-10)12(19)13(4-5-13)11(14)16-20/h10,20H,2-8H2,1H3,(H2,14,16)(H,15,18)
InChIKeyWQASSECUEVVSIM-UHFFFAOYSA-N
XLogP-0.11
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.11
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 N-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide 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'-hydroxy-1-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80590861
1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 76921050
1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide
CID 80596930
N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide
CID 76919469
1-(N'-hydroxycarbamimidoyl)-N-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxamide
CID 80597258
N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide
CID 102736501
N-[[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-4-yl]methyl]acetamide
CID 102736190
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide
CID 80594303
N'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
CID 113356031
N'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide
CID 80596829
N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide
CID 80594712

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide (CID 102736850) is N-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)C2(C(N)=NO)CC2)CC1.
What is the InChIKey of N-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is WQASSECUEVVSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9(18)15-8-10-2-6-17(7-3-10)12(19)13(4-5-13)11(14)16-20/h10,20H,2-8H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of N-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 282.34 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).