N'-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

C16H23IN4O2 — CID 110029125

IUPACN'-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccc(N2CCOC2=O)cc1)N1CCCCC1
InChIInChI=1S/C16H22N4O2.HI/c17-15(19-8-2-1-3-9-19)18-12-13-4-6-14(7-5-13)20-10-11-22-16(20)21;/h4-7H,1-3,8-12H2,(H2,17,18);1H
InChIKeyYDNQSDKGSCRFQY-UHFFFAOYSA-N
MW430.29 g/mol
LogP2.56
Rot. Bonds3

About N'-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

N'-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 110029125) has the molecular formula C16H23IN4O2 and a molecular weight of 430.29 g/mol. Its IUPAC name is N'-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID110029125
Molecular FormulaC16H23IN4O2
Molecular Weight430.29 g/mol
Exact Mass430.09
IUPAC NameN'-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccc(N2CCOC2=O)cc1)N1CCCCC1
InChIInChI=1S/C16H22N4O2.HI/c17-15(19-8-2-1-3-9-19)18-12-13-4-6-14(7-5-13)20-10-11-22-16(20)21;/h4-7H,1-3,8-12H2,(H2,17,18);1H
InChIKeyYDNQSDKGSCRFQY-UHFFFAOYSA-N
XLogP2.56
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
N'-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111080490
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine;hydroiodide
CID 110029121
2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 110029129
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine
CID 110029122
3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazolidin-2-one
CID 23020757
N'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 111052563
N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]azepane-1-carboximidamide;hydroiodide
CID 120913547
4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide
CID 111048452
4-(4-fluorophenyl)-N'-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111036569
N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide
CID 111048623
5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide
CID 111601348

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 110029125) is N'-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\Cc1ccc(N2CCOC2=O)cc1)N1CCCCC1.
What is the InChIKey of N'-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is YDNQSDKGSCRFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.HI/c17-15(19-8-2-1-3-9-19)18-12-13-4-6-14(7-5-13)20-10-11-22-16(20)21;/h4-7H,1-3,8-12H2,(H2,17,18);1H.
What are the key properties of N'-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 430.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110029125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).