2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one

C14H22N4O2 — CID 145270379

IUPAC2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one
SMILESCC(C)(C)C(=O)N1CCC(Nc2nccc(=O)[nH]2)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)12(20)18-8-5-10(6-9-18)16-13-15-7-4-11(19)17-13/h4,7,10H,5-6,8-9H2,1-3H3,(H2,15,16,17,19)
InChIKeyGRDQPWAQCKENSL-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.22
Rot. Bonds2

About 2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one

2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one (PubChem CID 145270379) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one
PubChem CID145270379
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one
SMILESCC(C)(C)C(=O)N1CCC(Nc2nccc(=O)[nH]2)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)12(20)18-8-5-10(6-9-18)16-13-15-7-4-11(19)17-13/h4,7,10H,5-6,8-9H2,1-3H3,(H2,15,16,17,19)
InChIKeyGRDQPWAQCKENSL-UHFFFAOYSA-N
XLogP1.22
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[Methyl(piperidin-4-yl)amino]pyrimidin-4-ol
CID 14601273
ethyl 4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 19861292
2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one
CID 154058334
1-methyl-N-(1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)piperidin-4-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 136662600
1-(6-oxo-1H-pyrimidin-2-yl)-3-pentylurea
CID 20768403
2-(piperidin-4-ylamino)-1H-pyrimidin-6-one
CID 58972433
2-(Piperidin-4-ylamino)-pyrimidin-4-ol dihydrochloride
CID 68782105
2-(2,2,6,6-Tetramethyl-piperidin-4-ylamino)-pyrimidin-4-ol
CID 69061305
2-[(1-propylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 69361416
tert-butyl 4-[(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 71095525
2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
CID 117224315
2-(4-Aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one
CID 123183196

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one (CID 145270379) is 2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one is CC(C)(C)C(=O)N1CCC(Nc2nccc(=O)[nH]2)CC1.
What is the InChIKey of 2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is GRDQPWAQCKENSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)12(20)18-8-5-10(6-9-18)16-13-15-7-4-11(19)17-13/h4,7,10H,5-6,8-9H2,1-3H3,(H2,15,16,17,19).
What are the key properties of 2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one?
2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 278.36 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 145270379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).