1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone

C23H35N3O — CID 166458469

IUPAC1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone
SMILESCC(=O)C1CC2(CCC(N3CCC(c4cnc(C(C)C)nc4)CC3)CC2)C1
InChIInChI=1S/C23H35N3O/c1-16(2)22-24-14-20(15-25-22)18-6-10-26(11-7-18)21-4-8-23(9-5-21)12-19(13-23)17(3)27/h14-16,18-19,21H,4-13H2,1-3H3
InChIKeyMRLOALOSYJFVGF-UHFFFAOYSA-N
MW369.55 g/mol
LogP4.71
Rot. Bonds4

About 1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone

1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone (PubChem CID 166458469) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is 1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone
PubChem CID166458469
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone
SMILESCC(=O)C1CC2(CCC(N3CCC(c4cnc(C(C)C)nc4)CC3)CC2)C1
InChIInChI=1S/C23H35N3O/c1-16(2)22-24-14-20(15-25-22)18-6-10-26(11-7-18)21-4-8-23(9-5-21)12-19(13-23)17(3)27/h14-16,18-19,21H,4-13H2,1-3H3
InChIKeyMRLOALOSYJFVGF-UHFFFAOYSA-N
XLogP4.71
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone?
The IUPAC name of 1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone (CID 166458469) is 1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone.
What is the SMILES notation for 1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone?
The canonical SMILES for 1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone is CC(=O)C1CC2(CCC(N3CCC(c4cnc(C(C)C)nc4)CC3)CC2)C1.
What is the InChIKey of 1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone?
The InChIKey is MRLOALOSYJFVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c1-16(2)22-24-14-20(15-25-22)18-6-10-26(11-7-18)21-4-8-23(9-5-21)12-19(13-23)17(3)27/h14-16,18-19,21H,4-13H2,1-3H3.
What are the key properties of 1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone?
1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone has a molecular weight of 369.55 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 166458469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).