1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one

C20H24FN5O — CID 133353797

IUPAC1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one
SMILESO=C1CN(c2cc(N3CCCCC3)ncn2)CCN1Cc1cccc(F)c1
InChIInChI=1S/C20H24FN5O/c21-17-6-4-5-16(11-17)13-26-10-9-25(14-20(26)27)19-12-18(22-15-23-19)24-7-2-1-3-8-24/h4-6,11-12,15H,1-3,7-10,13-14H2
InChIKeyYMGHPHPAQOQBSO-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.45
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one

1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one (PubChem CID 133353797) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one
PubChem CID133353797
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one
SMILESO=C1CN(c2cc(N3CCCCC3)ncn2)CCN1Cc1cccc(F)c1
InChIInChI=1S/C20H24FN5O/c21-17-6-4-5-16(11-17)13-26-10-9-25(14-20(26)27)19-12-18(22-15-23-19)24-7-2-1-3-8-24/h4-6,11-12,15H,1-3,7-10,13-14H2
InChIKeyYMGHPHPAQOQBSO-UHFFFAOYSA-N
XLogP2.45
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one (CID 133353797) is 1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one is O=C1CN(c2cc(N3CCCCC3)ncn2)CCN1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one?
The InChIKey is YMGHPHPAQOQBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c21-17-6-4-5-16(11-17)13-26-10-9-25(14-20(26)27)19-12-18(22-15-23-19)24-7-2-1-3-8-24/h4-6,11-12,15H,1-3,7-10,13-14H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one?
1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one has a molecular weight of 369.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 133353797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).