4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one

C11H16N4O2 — CID 136957098

IUPAC4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
SMILESO=C(CNc1cc(=O)[nH]cn1)N1CCCCC1
InChIInChI=1S/C11H16N4O2/c16-10-6-9(13-8-14-10)12-7-11(17)15-4-2-1-3-5-15/h6,8H,1-5,7H2,(H2,12,13,14,16)
InChIKeyLJBKLYSOMROOBQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.19
Rot. Bonds3

About 4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one

4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957098) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
PubChem CID136957098
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
SMILESO=C(CNc1cc(=O)[nH]cn1)N1CCCCC1
InChIInChI=1S/C11H16N4O2/c16-10-6-9(13-8-14-10)12-7-11(17)15-4-2-1-3-5-15/h6,8H,1-5,7H2,(H2,12,13,14,16)
InChIKeyLJBKLYSOMROOBQ-UHFFFAOYSA-N
XLogP0.19
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 137015554
5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136957096
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-piperidin-1-ylethanone
CID 108993555
4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 137147273
2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 112696676
3-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136959349
2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136959337
4-[(2-hydroxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136956783
2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115695339
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
CID 102716148
2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113406477
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride
CID 139026681

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one (CID 136957098) is 4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one is O=C(CNc1cc(=O)[nH]cn1)N1CCCCC1.
What is the InChIKey of 4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is LJBKLYSOMROOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-10-6-9(13-8-14-10)12-7-11(17)15-4-2-1-3-5-15/h6,8H,1-5,7H2,(H2,12,13,14,16).
What are the key properties of 4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 236.27 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).