1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide

C13H20N4O — CID 82897699

IUPAC1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C13H20N4O/c14-13(15)11-4-3-6-16(10-11)8-9-17-7-2-1-5-12(17)18/h1-2,5,7,11H,3-4,6,8-10H2,(H3,14,15)
InChIKeyLTPHAWIBPUELQD-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.50
Rot. Bonds4

About 1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide

1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide (PubChem CID 82897699) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide.

Molecular Properties

Compound Name1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide
PubChem CID82897699
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C13H20N4O/c14-13(15)11-4-3-6-16(10-11)8-9-17-7-2-1-5-12(17)18/h1-2,5,7,11H,3-4,6,8-10H2,(H3,14,15)
InChIKeyLTPHAWIBPUELQD-UHFFFAOYSA-N
XLogP0.50
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.50
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'}

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Related Compounds

1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82897538
1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82898009
1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82896565
1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82896584
1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one
CID 82907199
3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid
CID 82907483
1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82898983
1-[2-(4-amino-3-ethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 82907183
1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one
CID 113343955
1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one
CID 82907517
1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one
CID 114336159
1-[2-[4-(2-bromoethyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 82907733

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide?
The IUPAC name of 1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide (CID 82897699) is 1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide.
What is the SMILES notation for 1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide?
The canonical SMILES for 1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide is [H]/N=C(\N)C1CCCN(CCn2ccccc2=O)C1.
What is the InChIKey of 1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide?
The InChIKey is LTPHAWIBPUELQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-13(15)11-4-3-6-16(10-11)8-9-17-7-2-1-5-12(17)18/h1-2,5,7,11H,3-4,6,8-10H2,(H3,14,15).
What are the key properties of 1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide?
1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide is sourced from PubChem (CID 82897699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).