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

C24H33N5O — CID 121031877

IUPAC1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1)c1ccccc1
InChIInChI=1S/C24H33N5O/c1-3-21(20-10-6-4-7-11-20)23(30)28-14-16-29(17-15-28)24-25-19(2)18-22(26-24)27-12-8-5-9-13-27/h4,6-7,10-11,18,21H,3,5,8-9,12-17H2,1-2H3
InChIKeyFLQUYWBEECNTMD-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.62
Rot. Bonds5

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

1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one (PubChem CID 121031877) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one
PubChem CID121031877
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1)c1ccccc1
InChIInChI=1S/C24H33N5O/c1-3-21(20-10-6-4-7-11-20)23(30)28-14-16-29(17-15-28)24-25-19(2)18-22(26-24)27-12-8-5-9-13-27/h4,6-7,10-11,18,21H,3,5,8-9,12-17H2,1-2H3
InChIKeyFLQUYWBEECNTMD-UHFFFAOYSA-N
XLogP3.62
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one with MolForge

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Related Compounds

2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 70702951
1-[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 121031763
1-[4-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914873
(2S)-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 41129335
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 40829090
(2-methylphenyl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047604
2-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 2970650
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112922182
4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 112910193
1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 122333383
1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 122337670
(E)-1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 121031857

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one?
The IUPAC name of 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one (CID 121031877) is 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one.
What is the SMILES notation for 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one?
The canonical SMILES for 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one is CCC(C(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one?
The InChIKey is FLQUYWBEECNTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-3-21(20-10-6-4-7-11-20)23(30)28-14-16-29(17-15-28)24-25-19(2)18-22(26-24)27-12-8-5-9-13-27/h4,6-7,10-11,18,21H,3,5,8-9,12-17H2,1-2H3.
What are the key properties of 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one?
1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one has a molecular weight of 407.56 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one is sourced from PubChem (CID 121031877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).