N-[[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide

C13H20N4O2 — CID 136792777

IUPACN-[[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C13H20N4O2/c1-9-15-12(7-13(19)16-9)17-5-3-11(4-6-17)8-14-10(2)18/h7,11H,3-6,8H2,1-2H3,(H,14,18)(H,15,16,19)
InChIKeyMSPSFDUQWHCGKI-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.43
Rot. Bonds3

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

N-[[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 136792777) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
PubChem CID136792777
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C13H20N4O2/c1-9-15-12(7-13(19)16-9)17-5-3-11(4-6-17)8-14-10(2)18/h7,11H,3-6,8H2,1-2H3,(H,14,18)(H,15,16,19)
InChIKeyMSPSFDUQWHCGKI-UHFFFAOYSA-N
XLogP0.43
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,6-dihydroxy-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72874444
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 136216738
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957961
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957964
2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009787
2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009789
2-propan-2-yl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009792
2-ethyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009795
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}-2,2-dimethylpropanamide
CID 165431797
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}acetamide
CID 165431804
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}cyclopropanecarboxamide
CID 175648121
6-amino-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135638182

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (CID 136792777) is N-[[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2cc(=O)[nH]c(C)n2)CC1.
What is the InChIKey of N-[[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is MSPSFDUQWHCGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-15-12(7-13(19)16-9)17-5-3-11(4-6-17)8-14-10(2)18/h7,11H,3-6,8H2,1-2H3,(H,14,18)(H,15,16,19).
What are the key properties of N-[[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
N-[[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 264.33 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 136792777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).