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

C14H22N4O2 — CID 136792781

IUPACN-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCCc1nc(N2CCC(CNC(C)=O)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H22N4O2/c1-3-12-16-13(8-14(20)17-12)18-6-4-11(5-7-18)9-15-10(2)19/h8,11H,3-7,9H2,1-2H3,(H,15,19)(H,16,17,20)
InChIKeyRJFXTDNEFIVUAS-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.68
Rot. Bonds4

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

N-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 136792781) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
PubChem CID136792781
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCCc1nc(N2CCC(CNC(C)=O)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H22N4O2/c1-3-12-16-13(8-14(20)17-12)18-6-4-11(5-7-18)9-15-10(2)19/h8,11H,3-7,9H2,1-2H3,(H,15,19)(H,16,17,20)
InChIKeyRJFXTDNEFIVUAS-UHFFFAOYSA-N
XLogP0.68
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.68
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-[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
2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009796
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
2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 18726934

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (CID 136792781) is N-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is CCc1nc(N2CCC(CNC(C)=O)CC2)cc(=O)[nH]1.
What is the InChIKey of N-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is RJFXTDNEFIVUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-12-16-13(8-14(20)17-12)18-6-4-11(5-7-18)9-15-10(2)19/h8,11H,3-7,9H2,1-2H3,(H,15,19)(H,16,17,20).
What are the key properties of N-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
N-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 136792781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).