1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide

C15H21N3O3 — CID 77041537

IUPAC1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESCCOc1ccccc1C(=O)N1CCCC(C(N)=NO)C1
InChIInChI=1S/C15H21N3O3/c1-2-21-13-8-4-3-7-12(13)15(19)18-9-5-6-11(10-18)14(16)17-20/h3-4,7-8,11,20H,2,5-6,9-10H2,1H3,(H2,16,17)
InChIKeyXJTYYUGUWMIAPF-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.68
Rot. Bonds4

About 1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide

1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide (PubChem CID 77041537) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
PubChem CID77041537
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESCCOc1ccccc1C(=O)N1CCCC(C(N)=NO)C1
InChIInChI=1S/C15H21N3O3/c1-2-21-13-8-4-3-7-12(13)15(19)18-9-5-6-11(10-18)14(16)17-20/h3-4,7-8,11,20H,2,5-6,9-10H2,1H3,(H2,16,17)
InChIKeyXJTYYUGUWMIAPF-UHFFFAOYSA-N
XLogP1.68
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.68
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

methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
CID 78919045
4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670841
[3-(2-chloroethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 63395748
[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 72877584
(2-ethoxyphenyl)-piperidin-1-ylmethanethione
CID 926138
1-[2-(2-methylprop-2-enoxy)benzoyl]piperidine-3-carboxylic acid
CID 54794321
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone
CID 103576058
1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide
CID 54793952
ethyl (3S)-1-(2-iodobenzoyl)piperidine-3-carboxylate
CID 1345981
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041850

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The IUPAC name of 1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide (CID 77041537) is 1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide.
What is the SMILES notation for 1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The canonical SMILES for 1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide is CCOc1ccccc1C(=O)N1CCCC(C(N)=NO)C1.
What is the InChIKey of 1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The InChIKey is XJTYYUGUWMIAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-21-13-8-4-3-7-12(13)15(19)18-9-5-6-11(10-18)14(16)17-20/h3-4,7-8,11,20H,2,5-6,9-10H2,1H3,(H2,16,17).
What are the key properties of 1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide has a molecular weight of 291.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide is sourced from PubChem (CID 77041537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).