2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide

C13H24N4O2 — CID 103166098

IUPAC2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide
SMILESCN1CCC(NC(=O)CC2CCC2)(C(N)=NO)CC1
InChIInChI=1S/C13H24N4O2/c1-17-7-5-13(6-8-17,12(14)16-19)15-11(18)9-10-3-2-4-10/h10,19H,2-9H2,1H3,(H2,14,16)(H,15,18)
InChIKeyMNIZDBPQARARDT-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.50
Rot. Bonds4

About 2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide

2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide (PubChem CID 103166098) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide
PubChem CID103166098
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide
SMILESCN1CCC(NC(=O)CC2CCC2)(C(N)=NO)CC1
InChIInChI=1S/C13H24N4O2/c1-17-7-5-13(6-8-17,12(14)16-19)15-11(18)9-10-3-2-4-10/h10,19H,2-9H2,1H3,(H2,14,16)(H,15,18)
InChIKeyMNIZDBPQARARDT-UHFFFAOYSA-N
XLogP0.50
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.50
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

2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide
CID 76909881
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]acetamide
CID 54593183
1-(N'-hydroxycarbamimidoyl)-N-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxamide
CID 80597258
N'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide
CID 104978294
N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide
CID 61132988
2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane
CID 142326806
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide
CID 76946958
1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185
3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid
CID 103925898
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
2-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]furan-3-carboxamide
CID 106689269
N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide
CID 103940438

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide?
The IUPAC name of 2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide (CID 103166098) is 2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide is CN1CCC(NC(=O)CC2CCC2)(C(N)=NO)CC1.
What is the InChIKey of 2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide?
The InChIKey is MNIZDBPQARARDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-17-7-5-13(6-8-17,12(14)16-19)15-11(18)9-10-3-2-4-10/h10,19H,2-9H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide?
2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide has a molecular weight of 268.36 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 103166098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).