2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile

C11H14N4O — CID 107545426

IUPAC2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile
SMILESCOC1CCCN(c2nccc(C#N)n2)C1
InChIInChI=1S/C11H14N4O/c1-16-10-3-2-6-15(8-10)11-13-5-4-9(7-12)14-11/h4-5,10H,2-3,6,8H2,1H3
InChIKeyKRUWCOARCWPQTA-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.96
Rot. Bonds2

About 2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile

2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile (PubChem CID 107545426) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile
PubChem CID107545426
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile
SMILESCOC1CCCN(c2nccc(C#N)n2)C1
InChIInChI=1S/C11H14N4O/c1-16-10-3-2-6-15(8-10)11-13-5-4-9(7-12)14-11/h4-5,10H,2-3,6,8H2,1H3
InChIKeyKRUWCOARCWPQTA-UHFFFAOYSA-N
XLogP0.96
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 107545460
2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 155941665
N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
CID 163354148
1-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166605206
2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile
CID 107543802
2-(2-ethyl-1,4-oxazepan-4-yl)pyrimidine-4-carbonitrile
CID 114218412
2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107543268
2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552490
[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542321
2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile
CID 171995820
5-fluoro-2-(3-methoxypiperidin-1-yl)pyrimidine
CID 134532206
N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175649067

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile (CID 107545426) is 2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile is COC1CCCN(c2nccc(C#N)n2)C1.
What is the InChIKey of 2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile?
The InChIKey is KRUWCOARCWPQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-16-10-3-2-6-15(8-10)11-13-5-4-9(7-12)14-11/h4-5,10H,2-3,6,8H2,1H3.
What are the key properties of 2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile?
2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).