[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C22H28FN5O — CID 109364291

IUPAC[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCC(C)CC2)cc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C22H28FN5O/c1-16-7-9-28(10-8-16)22(29)20-15-21(25-17(2)24-20)27-13-11-26(12-14-27)19-5-3-18(23)4-6-19/h3-6,15-16H,7-14H2,1-2H3
InChIKeyLCWLFSRHHBUFLB-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.12
Rot. Bonds3

About [6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109364291) has the molecular formula C22H28FN5O and a molecular weight of 397.50 g/mol. Its IUPAC name is [6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109364291
Molecular FormulaC22H28FN5O
Molecular Weight397.50 g/mol
Exact Mass397.23
IUPAC Name[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCC(C)CC2)cc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C22H28FN5O/c1-16-7-9-28(10-8-16)22(29)20-15-21(25-17(2)24-20)27-13-11-26(12-14-27)19-5-3-18(23)4-6-19/h3-6,15-16H,7-14H2,1-2H3
InChIKeyLCWLFSRHHBUFLB-UHFFFAOYSA-N
XLogP3.12
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364088
1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109364260
(4-methylpiperidin-1-yl)-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109362694
[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109364142
[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364296
[2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367040
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109366887
N-[(4-fluorophenyl)methyl]-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364108
[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 75538812
[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 75538862
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109152530
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363576

Frequently Asked Questions

What is the IUPAC name of [6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 109364291) is [6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is Cc1nc(C(=O)N2CCC(C)CC2)cc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of [6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is LCWLFSRHHBUFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O/c1-16-7-9-28(10-8-16)22(29)20-15-21(25-17(2)24-20)27-13-11-26(12-14-27)19-5-3-18(23)4-6-19/h3-6,15-16H,7-14H2,1-2H3.
What are the key properties of [6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 397.50 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109364291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).