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

C15H21N3O3 — CID 77039394

IUPACN'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide
SMILESCOc1cccc(CC(=O)N2CCC(C(N)=NO)CC2)c1
InChIInChI=1S/C15H21N3O3/c1-21-13-4-2-3-11(9-13)10-14(19)18-7-5-12(6-8-18)15(16)17-20/h2-4,9,12,20H,5-8,10H2,1H3,(H2,16,17)
InChIKeyGXECXVNHTXWRPW-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.22
Rot. Bonds4

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

N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide (PubChem CID 77039394) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide
PubChem CID77039394
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide
SMILESCOc1cccc(CC(=O)N2CCC(C(N)=NO)CC2)c1
InChIInChI=1S/C15H21N3O3/c1-21-13-4-2-3-11(9-13)10-14(19)18-7-5-12(6-8-18)15(16)17-20/h2-4,9,12,20H,5-8,10H2,1H3,(H2,16,17)
InChIKeyGXECXVNHTXWRPW-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

2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
CID 55955179
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 106839428
1-[3-(bromomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 80667787
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]ethanone
CID 94811563
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
1-[(3R,5S)-3,5-diaminopiperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 118550657
2-(3-methoxyphenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 119999768
4-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119306920
N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811015

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide (CID 77039394) is N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide is COc1cccc(CC(=O)N2CCC(C(N)=NO)CC2)c1.
What is the InChIKey of N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide?
The InChIKey is GXECXVNHTXWRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-13-4-2-3-11(9-13)10-14(19)18-7-5-12(6-8-18)15(16)17-20/h2-4,9,12,20H,5-8,10H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide?
N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-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-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide is sourced from PubChem (CID 77039394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).