1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile

C14H18N4O2 — CID 91831333

IUPAC1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile
SMILESCC(C)c1ncc(C(=O)N2CCCC(C#N)C2)c(=O)[nH]1
InChIInChI=1S/C14H18N4O2/c1-9(2)12-16-7-11(13(19)17-12)14(20)18-5-3-4-10(6-15)8-18/h7,9-10H,3-5,8H2,1-2H3,(H,16,17,19)
InChIKeyKDMUDAGQWKGHPW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.27
Rot. Bonds2

About 1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile

1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile (PubChem CID 91831333) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile
PubChem CID91831333
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile
SMILESCC(C)c1ncc(C(=O)N2CCCC(C#N)C2)c(=O)[nH]1
InChIInChI=1S/C14H18N4O2/c1-9(2)12-16-7-11(13(19)17-12)14(20)18-5-3-4-10(6-15)8-18/h7,9-10H,3-5,8H2,1-2H3,(H,16,17,19)
InChIKeyKDMUDAGQWKGHPW-UHFFFAOYSA-N
XLogP1.27
TPSA89.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile?
The IUPAC name of 1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile (CID 91831333) is 1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile is CC(C)c1ncc(C(=O)N2CCCC(C#N)C2)c(=O)[nH]1.
What is the InChIKey of 1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile?
The InChIKey is KDMUDAGQWKGHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(2)12-16-7-11(13(19)17-12)14(20)18-5-3-4-10(6-15)8-18/h7,9-10H,3-5,8H2,1-2H3,(H,16,17,19).
What are the key properties of 1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile?
1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile has a molecular weight of 274.32 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile is sourced from PubChem (CID 91831333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).