[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

C16H24N4O — CID 109249279

IUPAC[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCC1CCCCN1c1ncc(C(=O)N2CCCC2)cn1
InChIInChI=1S/C16H24N4O/c1-2-14-7-3-4-10-20(14)16-17-11-13(12-18-16)15(21)19-8-5-6-9-19/h11-12,14H,2-10H2,1H3
InChIKeyQUZKIYIZGONUNN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.48
Rot. Bonds3

About [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109249279) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID109249279
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCC1CCCCN1c1ncc(C(=O)N2CCCC2)cn1
InChIInChI=1S/C16H24N4O/c1-2-14-7-3-4-10-20(14)16-17-11-13(12-18-16)15(21)19-8-5-6-9-19/h11-12,14H,2-10H2,1H3
InChIKeyQUZKIYIZGONUNN-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261110
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109262091
N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263083
[5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 133381373
N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264239
N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109258347
2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109264249
[2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine
CID 104690773
N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264292
[4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203690
2-(2-ethylazepan-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 104690134
N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264233

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (CID 109249279) is [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is CCC1CCCCN1c1ncc(C(=O)N2CCCC2)cn1.
What is the InChIKey of [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QUZKIYIZGONUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-14-7-3-4-10-20(14)16-17-11-13(12-18-16)15(21)19-8-5-6-9-19/h11-12,14H,2-10H2,1H3.
What are the key properties of [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 288.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109249279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).