N'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide

C16H23N3O2 — CID 91311863

IUPACN'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
SMILESC[C@H](Cc1ccc(C(N)=NO)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C16H23N3O2/c1-12(16(20)19-9-3-2-4-10-19)11-13-5-7-14(8-6-13)15(17)18-21/h5-8,12,21H,2-4,9-11H2,1H3,(H2,17,18)/t12-/m1/s1
InChIKeyOAJOFAMPDPKPCS-GFCCVEGCSA-N
MW289.38 g/mol
LogP1.97
Rot. Bonds4

About N'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide

N'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide (PubChem CID 91311863) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
PubChem CID91311863
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
SMILESC[C@H](Cc1ccc(C(N)=NO)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C16H23N3O2/c1-12(16(20)19-9-3-2-4-10-19)11-13-5-7-14(8-6-13)15(17)18-21/h5-8,12,21H,2-4,9-11H2,1H3,(H2,17,18)/t12-/m1/s1
InChIKeyOAJOFAMPDPKPCS-GFCCVEGCSA-N
XLogP1.97
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.97
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

2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one
CID 20770261
4-[2-(azocan-1-yl)-2-oxoethyl]-N'-hydroxybenzenecarboximidamide
CID 77000979
4-[2-(azepan-1-yl)-2-oxoethyl]-N'-hydroxybenzenecarboximidamide
CID 77001717
N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
CID 96670524
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-(4-fluorophenyl)-2-methylpropan-1-one
CID 167757594
N'-hydroxy-4-[4-(4-hydroxypiperidin-1-yl)-3-methyl-4-oxobutanoyl]benzenecarboximidamide
CID 173315002
3-(3-hydroxy-4-methylphenyl)-2-methyl-1-piperidin-1-ylpropan-1-one
CID 66609867
4-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24701931
1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 110674012
2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone
CID 116851302
(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 59968912
N-[4-(N'-hydroxycarbamimidoyl)phenyl]pyrrolidine-1-carboxamide
CID 79161552

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide (CID 91311863) is N'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide is C[C@H](Cc1ccc(C(N)=NO)cc1)C(=O)N1CCCCC1.
What is the InChIKey of N'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide?
The InChIKey is OAJOFAMPDPKPCS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(16(20)19-9-3-2-4-10-19)11-13-5-7-14(8-6-13)15(17)18-21/h5-8,12,21H,2-4,9-11H2,1H3,(H2,17,18)/t12-/m1/s1.
What are the key properties of N'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide?
N'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide has a molecular weight of 289.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide is sourced from PubChem (CID 91311863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).