1-(3-chloro-4-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide

C14H18ClN3O2 — CID 77041974

IUPAC1-(3-chloro-4-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESCc1ccc(C(=O)N2CCCCC2C(N)=NO)cc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-9-5-6-10(8-11(9)15)14(19)18-7-3-2-4-12(18)13(16)17-20/h5-6,8,12,20H,2-4,7H2,1H3,(H2,16,17)
InChIKeyWDZBDLWUBJZYMP-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.39
Rot. Bonds2

About 1-(3-chloro-4-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide

1-(3-chloro-4-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide (PubChem CID 77041974) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide
PubChem CID77041974
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-(3-chloro-4-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESCc1ccc(C(=O)N2CCCCC2C(N)=NO)cc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-9-5-6-10(8-11(9)15)14(19)18-7-3-2-4-12(18)13(16)17-20/h5-6,8,12,20H,2-4,7H2,1H3,(H2,16,17)
InChIKeyWDZBDLWUBJZYMP-UHFFFAOYSA-N
XLogP2.39
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.39
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-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 81307263
1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 103211616
1-(3-chloro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 63194302
[2-(bromomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 80659471
1-(3-bromo-4-methoxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041871
1-(4-ethylbenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77035991
1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041508
1-(3-chloro-4-iodobenzoyl)piperidine-2-carbothioamide
CID 103220798
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 124576129
1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036430
(2S)-1-(3-bromo-4-methylbenzoyl)piperidine-2-carboxylic acid
CID 81472429
1-(3-bromo-4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 79458993

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The IUPAC name of 1-(3-chloro-4-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide (CID 77041974) is 1-(3-chloro-4-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide.
What is the SMILES notation for 1-(3-chloro-4-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The canonical SMILES for 1-(3-chloro-4-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide is Cc1ccc(C(=O)N2CCCCC2C(N)=NO)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The InChIKey is WDZBDLWUBJZYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-9-5-6-10(8-11(9)15)14(19)18-7-3-2-4-12(18)13(16)17-20/h5-6,8,12,20H,2-4,7H2,1H3,(H2,16,17).
What are the key properties of 1-(3-chloro-4-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
1-(3-chloro-4-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide has a molecular weight of 295.77 g/mol, XLogP of 2.39, 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-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide is sourced from PubChem (CID 77041974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).