(2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone

C17H25N3O2 — CID 164642625

IUPAC(2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOC[C@H]1CCCCN1C(=O)c1ccnc(C2CCCC2)n1
InChIInChI=1S/C17H25N3O2/c1-22-12-14-8-4-5-11-20(14)17(21)15-9-10-18-16(19-15)13-6-2-3-7-13/h9-10,13-14H,2-8,11-12H2,1H3/t14-/m1/s1
InChIKeyYTSZBQLBPARHDR-CQSZACIVSA-N
MW303.41 g/mol
LogP2.78
Rot. Bonds4

About (2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone

(2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 164642625) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID164642625
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOC[C@H]1CCCCN1C(=O)c1ccnc(C2CCCC2)n1
InChIInChI=1S/C17H25N3O2/c1-22-12-14-8-4-5-11-20(14)17(21)15-9-10-18-16(19-15)13-6-2-3-7-13/h9-10,13-14H,2-8,11-12H2,1H3/t14-/m1/s1
InChIKeyYTSZBQLBPARHDR-CQSZACIVSA-N
XLogP2.78
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone (CID 164642625) is (2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone is COC[C@H]1CCCCN1C(=O)c1ccnc(C2CCCC2)n1.
What is the InChIKey of (2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is YTSZBQLBPARHDR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-22-12-14-8-4-5-11-20(14)17(21)15-9-10-18-16(19-15)13-6-2-3-7-13/h9-10,13-14H,2-8,11-12H2,1H3/t14-/m1/s1.
What are the key properties of (2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone?
(2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 303.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 164642625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).