cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C21H26N4O — CID 46965157

IUPACcyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1ncc(-c2ccncc2)c(C2CCCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C21H26N4O/c1-15-23-13-19(16-8-10-22-11-9-16)20(24-15)18-7-4-12-25(14-18)21(26)17-5-2-3-6-17/h8-11,13,17-18H,2-7,12,14H2,1H3
InChIKeyXBJSGUQUVXRHPM-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.74
Rot. Bonds3

About cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 46965157) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID46965157
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Namecyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1ncc(-c2ccncc2)c(C2CCCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C21H26N4O/c1-15-23-13-19(16-8-10-22-11-9-16)20(24-15)18-7-4-12-25(14-18)21(26)17-5-2-3-6-17/h8-11,13,17-18H,2-7,12,14H2,1H3
InChIKeyXBJSGUQUVXRHPM-UHFFFAOYSA-N
XLogP3.74
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[(3R)-3-(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 51590922
(4-fluorophenyl)-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965148
cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110219759
1-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 16669953
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
[(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95806590
2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine
CID 110213955
1-[(3S)-3-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 51583946
[(3R)-3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 92565297
[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 171700015
[3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 110248847
[(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95806587

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 46965157) is cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is Cc1ncc(-c2ccncc2)c(C2CCCN(C(=O)C3CCCC3)C2)n1.
What is the InChIKey of cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is XBJSGUQUVXRHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-23-13-19(16-8-10-22-11-9-16)20(24-15)18-7-4-12-25(14-18)21(26)17-5-2-3-6-17/h8-11,13,17-18H,2-7,12,14H2,1H3.
What are the key properties of cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 350.47 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46965157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).