2-[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide

C11H15IN4O2 — CID 136993992

IUPAC2-[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C11H15IN4O2/c12-9-10(14-6-15-11(9)18)16-3-1-7(2-4-16)5-8(13)17/h6-7H,1-5H2,(H2,13,17)(H,14,15,18)
InChIKeyOYCAHSVXIKYODM-UHFFFAOYSA-N
MW362.17 g/mol
LogP0.47
Rot. Bonds3

About 2-[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide

2-[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 136993992) has the molecular formula C11H15IN4O2 and a molecular weight of 362.17 g/mol. Its IUPAC name is 2-[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID136993992
Molecular FormulaC11H15IN4O2
Molecular Weight362.17 g/mol
Exact Mass362.02
IUPAC Name2-[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C11H15IN4O2/c12-9-10(14-6-15-11(9)18)16-3-1-7(2-4-16)5-8(13)17/h6-7H,1-5H2,(H2,13,17)(H,14,15,18)
InChIKeyOYCAHSVXIKYODM-UHFFFAOYSA-N
XLogP0.47
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136689238
N-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792775
4-[ethyl(piperidin-3-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136805349
5-iodo-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805369
5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880887
5-iodo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one
CID 136954306
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 136954314
5-iodo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one
CID 136956248
5-iodo-4-[(1-methylpiperidin-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136956376
5-iodo-4-[(1-methylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136956457
5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956637
5-iodo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956744

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide (CID 136993992) is 2-[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(c2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of 2-[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is OYCAHSVXIKYODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN4O2/c12-9-10(14-6-15-11(9)18)16-3-1-7(2-4-16)5-8(13)17/h6-7H,1-5H2,(H2,13,17)(H,14,15,18).
What are the key properties of 2-[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
2-[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 362.17 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 136993992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).