(3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine

C15H24N4O — CID 56917514

IUPAC(3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine
SMILESCO[C@H]1CN(c2nccc(C3CCCC3)n2)CC[C@H]1N
InChIInChI=1S/C15H24N4O/c1-20-14-10-19(9-7-12(14)16)15-17-8-6-13(18-15)11-4-2-3-5-11/h6,8,11-12,14H,2-5,7,9-10,16H2,1H3/t12-,14+/m1/s1
InChIKeyUUYLUUIGJAJCDS-OCCSQVGLSA-N
MW276.38 g/mol
LogP1.69
Rot. Bonds3

About (3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine

(3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine (PubChem CID 56917514) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine
PubChem CID56917514
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine
SMILESCO[C@H]1CN(c2nccc(C3CCCC3)n2)CC[C@H]1N
InChIInChI=1S/C15H24N4O/c1-20-14-10-19(9-7-12(14)16)15-17-8-6-13(18-15)11-4-2-3-5-11/h6,8,11-12,14H,2-5,7,9-10,16H2,1H3/t12-,14+/m1/s1
InChIKeyUUYLUUIGJAJCDS-OCCSQVGLSA-N
XLogP1.69
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine?
The IUPAC name of (3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine (CID 56917514) is (3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine.
What is the SMILES notation for (3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine?
The canonical SMILES for (3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine is CO[C@H]1CN(c2nccc(C3CCCC3)n2)CC[C@H]1N.
What is the InChIKey of (3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine?
The InChIKey is UUYLUUIGJAJCDS-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H24N4O/c1-20-14-10-19(9-7-12(14)16)15-17-8-6-13(18-15)11-4-2-3-5-11/h6,8,11-12,14H,2-5,7,9-10,16H2,1H3/t12-,14+/m1/s1.
What are the key properties of (3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine?
(3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine has a molecular weight of 276.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine is sourced from PubChem (CID 56917514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).