3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide

C11H22N4O2 — CID 76924633

IUPAC3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide
SMILESCC(C(=O)N1CCC(N(C)C)CC1)C(N)=NO
InChIInChI=1S/C11H22N4O2/c1-8(10(12)13-17)11(16)15-6-4-9(5-7-15)14(2)3/h8-9,17H,4-7H2,1-3H3,(H2,12,13)
InChIKeyNMHPCMVGEAKHLM-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.08
Rot. Bonds3

About 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide

3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide (PubChem CID 76924633) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide
PubChem CID76924633
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide
SMILESCC(C(=O)N1CCC(N(C)C)CC1)C(N)=NO
InChIInChI=1S/C11H22N4O2/c1-8(10(12)13-17)11(16)15-6-4-9(5-7-15)14(2)3/h8-9,17H,4-7H2,1-3H3,(H2,12,13)
InChIKeyNMHPCMVGEAKHLM-UHFFFAOYSA-N
XLogP-0.08
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.08
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

3-(azocan-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76924604
1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide
CID 76924824
3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76941688
(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 79011713
2-chloro-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
CID 43585925
3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76926876
2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide
CID 76926862
3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile
CID 55208045
N'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide
CID 76926875
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]piperidine-4-carboxamide
CID 76926780
(2S)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 93255628

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide?
The IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide (CID 76924633) is 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide.
What is the SMILES notation for 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide?
The canonical SMILES for 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide is CC(C(=O)N1CCC(N(C)C)CC1)C(N)=NO.
What is the InChIKey of 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide?
The InChIKey is NMHPCMVGEAKHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-8(10(12)13-17)11(16)15-6-4-9(5-7-15)14(2)3/h8-9,17H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide?
3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide has a molecular weight of 242.32 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide is sourced from PubChem (CID 76924633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).