2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide

C14H28N4O2 — CID 76926862

IUPAC2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide
SMILESCC(C)C(C(=O)N1CCC(CN(C)C)CC1)C(N)=NO
InChIInChI=1S/C14H28N4O2/c1-10(2)12(13(15)16-20)14(19)18-7-5-11(6-8-18)9-17(3)4/h10-12,20H,5-9H2,1-4H3,(H2,15,16)
InChIKeyLOJRMHXSAVKCDY-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.81
Rot. Bonds5

About 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide

2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide (PubChem CID 76926862) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide
PubChem CID76926862
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide
SMILESCC(C)C(C(=O)N1CCC(CN(C)C)CC1)C(N)=NO
InChIInChI=1S/C14H28N4O2/c1-10(2)12(13(15)16-20)14(19)18-7-5-11(6-8-18)9-17(3)4/h10-12,20H,5-9H2,1-4H3,(H2,15,16)
InChIKeyLOJRMHXSAVKCDY-UHFFFAOYSA-N
XLogP0.81
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
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

1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]piperidine-4-carboxamide
CID 76926780
N'-hydroxy-2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-3-methylbutanimidamide
CID 77048400
(2R)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 79012715
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 61148515
2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76925389
2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76981094
N'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide
CID 79170206
2-(4-tert-butylazepane-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 77024794
N'-hydroxy-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide
CID 76926516
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 79201880
N-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 77046120
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119852066

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide?
The IUPAC name of 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide (CID 76926862) is 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide is CC(C)C(C(=O)N1CCC(CN(C)C)CC1)C(N)=NO.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide?
The InChIKey is LOJRMHXSAVKCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-10(2)12(13(15)16-20)14(19)18-7-5-11(6-8-18)9-17(3)4/h10-12,20H,5-9H2,1-4H3,(H2,15,16).
What are the key properties of 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide?
2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide has a molecular weight of 284.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide is sourced from PubChem (CID 76926862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).