[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C22H28FN5O — CID 109262091

IUPAC[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCC1CCCCN1c1ncc(C(=O)N2CCN(c3ccccc3F)CC2)cn1
InChIInChI=1S/C22H28FN5O/c1-2-18-7-5-6-10-28(18)22-24-15-17(16-25-22)21(29)27-13-11-26(12-14-27)20-9-4-3-8-19(20)23/h3-4,8-9,15-16,18H,2,5-7,10-14H2,1H3
InChIKeyZAJWOCGCNXLJDD-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.35
Rot. Bonds4

About [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 109262091) has the molecular formula C22H28FN5O and a molecular weight of 397.50 g/mol. Its IUPAC name is [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID109262091
Molecular FormulaC22H28FN5O
Molecular Weight397.50 g/mol
Exact Mass397.23
IUPAC Name[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCC1CCCCN1c1ncc(C(=O)N2CCN(c3ccccc3F)CC2)cn1
InChIInChI=1S/C22H28FN5O/c1-2-18-7-5-6-10-28(18)22-24-15-17(16-25-22)21(29)27-13-11-26(12-14-27)20-9-4-3-8-19(20)23/h3-4,8-9,15-16,18H,2,5-7,10-14H2,1H3
InChIKeyZAJWOCGCNXLJDD-UHFFFAOYSA-N
XLogP3.35
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261110
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109264249
3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine
CID 112957573
(2-ethylpiperidin-1-yl)-[5-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]methanone
CID 109286501
[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109262111
[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109160477
[4-(2-fluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84571000
(2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone
CID 109264203
(2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 109262220
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone
CID 109262099
[5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237515

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 109262091) is [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is CCC1CCCCN1c1ncc(C(=O)N2CCN(c3ccccc3F)CC2)cn1.
What is the InChIKey of [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is ZAJWOCGCNXLJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O/c1-2-18-7-5-6-10-28(18)22-24-15-17(16-25-22)21(29)27-13-11-26(12-14-27)20-9-4-3-8-19(20)23/h3-4,8-9,15-16,18H,2,5-7,10-14H2,1H3.
What are the key properties of [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 397.50 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109262091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).