1-(3-chloro-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

C14H17ClFN3O2 — CID 107162595

IUPAC1-(3-chloro-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCC1(/C(N)=N/O)CCN(C(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H17ClFN3O2/c1-14(13(17)18-21)4-6-19(7-5-14)12(20)9-2-3-11(16)10(15)8-9/h2-3,8,21H,4-7H2,1H3,(H2,17,18)
InChIKeyUBGHIJBDTFMJEO-UHFFFAOYSA-N
MW313.76 g/mol
LogP2.47
Rot. Bonds2

About 1-(3-chloro-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

1-(3-chloro-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (PubChem CID 107162595) has the molecular formula C14H17ClFN3O2 and a molecular weight of 313.76 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
PubChem CID107162595
Molecular FormulaC14H17ClFN3O2
Molecular Weight313.76 g/mol
Exact Mass313.10
IUPAC Name1-(3-chloro-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCC1(/C(N)=N/O)CCN(C(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H17ClFN3O2/c1-14(13(17)18-21)4-6-19(7-5-14)12(20)9-2-3-11(16)10(15)8-9/h2-3,8,21H,4-7H2,1H3,(H2,17,18)
InChIKeyUBGHIJBDTFMJEO-UHFFFAOYSA-N
XLogP2.47
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162552
1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162321
1-(3-chloro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162389
1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162578
1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162411
(3-chloro-4-fluorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 10755891
1-(2-chloro-3-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162439
1-(3-chloro-4-fluorobenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 82875281
1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidine-4-carboxylic acid;ethyl 1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidine-4-carboxylate
CID 157330313
1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63209441
1-(3-fluoro-4-methylbenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107160927
(2R)-2-[1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl]-2-hydroxyacetonitrile
CID 129384140

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-(3-chloro-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (CID 107162595) is 1-(3-chloro-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(3-chloro-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(3-chloro-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is CC1(/C(N)=N/O)CCN(C(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-(3-chloro-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The InChIKey is UBGHIJBDTFMJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O2/c1-14(13(17)18-21)4-6-19(7-5-14)12(20)9-2-3-11(16)10(15)8-9/h2-3,8,21H,4-7H2,1H3,(H2,17,18).
What are the key properties of 1-(3-chloro-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
1-(3-chloro-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide has a molecular weight of 313.76 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).