N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide

C15H21N3O3 — CID 77041744

IUPACN'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide
SMILESCOc1ccc(CC(=O)N2CCCC(C(N)=NO)C2)cc1
InChIInChI=1S/C15H21N3O3/c1-21-13-6-4-11(5-7-13)9-14(19)18-8-2-3-12(10-18)15(16)17-20/h4-7,12,20H,2-3,8-10H2,1H3,(H2,16,17)
InChIKeyLJBMAYOOQRCAIB-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.22
Rot. Bonds4

About N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide

N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide (PubChem CID 77041744) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide
PubChem CID77041744
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide
SMILESCOc1ccc(CC(=O)N2CCCC(C(N)=NO)C2)cc1
InChIInChI=1S/C15H21N3O3/c1-21-13-6-4-11(5-7-13)9-14(19)18-8-2-3-12(10-18)15(16)17-20/h4-7,12,20H,2-3,8-10H2,1H3,(H2,16,17)
InChIKeyLJBMAYOOQRCAIB-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
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

1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 3298248
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63006760
N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide
CID 77041855
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119593429
N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide
CID 65444861
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110364752
1-(3-aminopyrrolidin-1-yl)-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119482626
3-[(3S)-1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124686051
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
methyl (3S)-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919538
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119483951
(3R)-1-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxamide
CID 9395795

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide (CID 77041744) is N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide is COc1ccc(CC(=O)N2CCCC(C(N)=NO)C2)cc1.
What is the InChIKey of N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide?
The InChIKey is LJBMAYOOQRCAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-13-6-4-11(5-7-13)9-14(19)18-8-2-3-12(10-18)15(16)17-20/h4-7,12,20H,2-3,8-10H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide?
N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide has a molecular weight of 291.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide is sourced from PubChem (CID 77041744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).