(4-ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone

C21H33N5O2 — CID 155561320

IUPAC(4-ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCCC1CCN(C(=O)C2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1
InChIInChI=1S/C21H33N5O2/c1-2-17-3-7-26(8-4-17)21(27)18-5-9-24(10-6-18)19-15-20(23-16-22-19)25-11-13-28-14-12-25/h15-18H,2-14H2,1H3
InChIKeyNAABAQAWNBRWLP-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.18
Rot. Bonds4

About (4-ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone

(4-ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 155561320) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is (4-ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID155561320
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name(4-ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCCC1CCN(C(=O)C2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1
InChIInChI=1S/C21H33N5O2/c1-2-17-3-7-26(8-4-17)21(27)18-5-9-24(10-6-18)19-15-20(23-16-22-19)25-11-13-28-14-12-25/h15-18H,2-14H2,1H3
InChIKeyNAABAQAWNBRWLP-UHFFFAOYSA-N
XLogP2.18
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 155561320) is (4-ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone is CCC1CCN(C(=O)C2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1.
What is the InChIKey of (4-ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is NAABAQAWNBRWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-2-17-3-7-26(8-4-17)21(27)18-5-9-24(10-6-18)19-15-20(23-16-22-19)25-11-13-28-14-12-25/h15-18H,2-14H2,1H3.
What are the key properties of (4-ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
(4-ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 387.53 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 155561320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).