1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide

C15H22N4O2 — CID 77041690

IUPAC1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide
SMILESCN(C)c1cccc(C(=O)N2CCCC(C(N)=NO)C2)c1
InChIInChI=1S/C15H22N4O2/c1-18(2)13-7-3-5-11(9-13)15(20)19-8-4-6-12(10-19)14(16)17-21/h3,5,7,9,12,21H,4,6,8,10H2,1-2H3,(H2,16,17)
InChIKeyKBWLMQSWFKZWDY-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.35
Rot. Bonds3

About 1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide

1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide (PubChem CID 77041690) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide
PubChem CID77041690
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide
SMILESCN(C)c1cccc(C(=O)N2CCCC(C(N)=NO)C2)c1
InChIInChI=1S/C15H22N4O2/c1-18(2)13-7-3-5-11(9-13)15(20)19-8-4-6-12(10-19)14(16)17-21/h3,5,7,9,12,21H,4,6,8,10H2,1-2H3,(H2,16,17)
InChIKeyKBWLMQSWFKZWDY-UHFFFAOYSA-N
XLogP1.35
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.35
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-bromopiperidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80660078
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94014765
1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041489
(3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 94392069
[3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63767839
1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041999
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
CID 47340246
[3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 95293500
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041850
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide?
The IUPAC name of 1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide (CID 77041690) is 1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide.
What is the SMILES notation for 1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide?
The canonical SMILES for 1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide is CN(C)c1cccc(C(=O)N2CCCC(C(N)=NO)C2)c1.
What is the InChIKey of 1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide?
The InChIKey is KBWLMQSWFKZWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18(2)13-7-3-5-11(9-13)15(20)19-8-4-6-12(10-19)14(16)17-21/h3,5,7,9,12,21H,4,6,8,10H2,1-2H3,(H2,16,17).
What are the key properties of 1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide?
1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide has a molecular weight of 290.37 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide is sourced from PubChem (CID 77041690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).