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

C12H17IN4O2 — CID 136792775

IUPACN-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C12H17IN4O2/c1-8(18)14-6-9-2-4-17(5-3-9)11-10(13)12(19)16-7-15-11/h7,9H,2-6H2,1H3,(H,14,18)(H,15,16,19)
InChIKeyCCYLYXRJXCOIRT-UHFFFAOYSA-N
MW376.20 g/mol
LogP0.73
Rot. Bonds3

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

N-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 136792775) has the molecular formula C12H17IN4O2 and a molecular weight of 376.20 g/mol. Its IUPAC name is N-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
PubChem CID136792775
Molecular FormulaC12H17IN4O2
Molecular Weight376.20 g/mol
Exact Mass376.04
IUPAC NameN-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C12H17IN4O2/c1-8(18)14-6-9-2-4-17(5-3-9)11-10(13)12(19)16-7-15-11/h7,9H,2-6H2,1H3,(H,14,18)(H,15,16,19)
InChIKeyCCYLYXRJXCOIRT-UHFFFAOYSA-N
XLogP0.73
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 50.73
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

5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957963
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}acetamide
CID 165431804
6-Amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
CID 175829408
5-Iodo-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 66308649
5-Iodo-3-(2-piperidin-3-ylethyl)pyrimidin-4-one
CID 66309296
5-Iodo-2-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 66340056
5-Iodo-6-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 66340229
5-Iodo-6-methyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one
CID 66341340
5-Iodo-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 66341341
5-Iodo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
CID 105061180
5-Iodo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
CID 105061181
5-Iodo-2-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
CID 113675700

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (CID 136792775) is N-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of N-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is CCYLYXRJXCOIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN4O2/c1-8(18)14-6-9-2-4-17(5-3-9)11-10(13)12(19)16-7-15-11/h7,9H,2-6H2,1H3,(H,14,18)(H,15,16,19).
What are the key properties of N-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
N-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 376.20 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 136792775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).