(3-hydroxypiperidin-1-yl)-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]methanone

C18H29N5O3 — CID 170207663

IUPAC(3-hydroxypiperidin-1-yl)-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]methanone
SMILESCOCCN1CCC(Nc2cc(C(=O)N3CCCC(O)C3)ncn2)CC1
InChIInChI=1S/C18H29N5O3/c1-26-10-9-22-7-4-14(5-8-22)21-17-11-16(19-13-20-17)18(25)23-6-2-3-15(24)12-23/h11,13-15,24H,2-10,12H2,1H3,(H,19,20,21)
InChIKeyZHZPHETWRZZLLC-UHFFFAOYSA-N
MW363.46 g/mol
LogP0.60
Rot. Bonds6

About (3-hydroxypiperidin-1-yl)-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]methanone

(3-hydroxypiperidin-1-yl)-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]methanone (PubChem CID 170207663) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]methanone
PubChem CID170207663
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name(3-hydroxypiperidin-1-yl)-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]methanone
SMILESCOCCN1CCC(Nc2cc(C(=O)N3CCCC(O)C3)ncn2)CC1
InChIInChI=1S/C18H29N5O3/c1-26-10-9-22-7-4-14(5-8-22)21-17-11-16(19-13-20-17)18(25)23-6-2-3-15(24)12-23/h11,13-15,24H,2-10,12H2,1H3,(H,19,20,21)
InChIKeyZHZPHETWRZZLLC-UHFFFAOYSA-N
XLogP0.60
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]methanone (CID 170207663) is (3-hydroxypiperidin-1-yl)-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]methanone is COCCN1CCC(Nc2cc(C(=O)N3CCCC(O)C3)ncn2)CC1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]methanone?
The InChIKey is ZHZPHETWRZZLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-26-10-9-22-7-4-14(5-8-22)21-17-11-16(19-13-20-17)18(25)23-6-2-3-15(24)12-23/h11,13-15,24H,2-10,12H2,1H3,(H,19,20,21).
What are the key properties of (3-hydroxypiperidin-1-yl)-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]methanone?
(3-hydroxypiperidin-1-yl)-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]methanone has a molecular weight of 363.46 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]methanone is sourced from PubChem (CID 170207663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).