[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone

C22H35N5O2 — CID 155514035

IUPAC[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1
InChIInChI=1S/C22H35N5O2/c1-17(2)18-3-9-27(10-4-18)22(28)19-5-7-25(8-6-19)20-15-21(24-16-23-20)26-11-13-29-14-12-26/h15-19H,3-14H2,1-2H3
InChIKeyRPTPKSNPOFOREA-UHFFFAOYSA-N
MW401.56 g/mol
LogP2.42
Rot. Bonds4

About [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone

[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 155514035) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID155514035
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC Name[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1
InChIInChI=1S/C22H35N5O2/c1-17(2)18-3-9-27(10-4-18)22(28)19-5-7-25(8-6-19)20-15-21(24-16-23-20)26-11-13-29-14-12-26/h15-19H,3-14H2,1-2H3
InChIKeyRPTPKSNPOFOREA-UHFFFAOYSA-N
XLogP2.42
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone (CID 155514035) is [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)C2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1.
What is the InChIKey of [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is RPTPKSNPOFOREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-17(2)18-3-9-27(10-4-18)22(28)19-5-7-25(8-6-19)20-15-21(24-16-23-20)26-11-13-29-14-12-26/h15-19H,3-14H2,1-2H3.
What are the key properties of [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 401.56 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 155514035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).