[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-piperidin-1-ylmethanone

C24H28FN3O2 — CID 46044765

IUPAC[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCCCC2)c(C2CCN(C(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C24H28FN3O2/c1-17-9-10-20(24(30)27-13-5-2-6-14-27)22(26-17)18-11-15-28(16-12-18)23(29)19-7-3-4-8-21(19)25/h3-4,7-10,18H,2,5-6,11-16H2,1H3
InChIKeyBEYUUDAIFRPFCE-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.18
Rot. Bonds3

About [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-piperidin-1-ylmethanone

[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 46044765) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID46044765
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCCCC2)c(C2CCN(C(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C24H28FN3O2/c1-17-9-10-20(24(30)27-13-5-2-6-14-27)22(26-17)18-11-15-28(16-12-18)23(29)19-7-3-4-8-21(19)25/h3-4,7-10,18H,2,5-6,11-16H2,1H3
InChIKeyBEYUUDAIFRPFCE-UHFFFAOYSA-N
XLogP4.18
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-piperidin-1-ylmethanone (CID 46044765) is [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-piperidin-1-ylmethanone is Cc1ccc(C(=O)N2CCCCC2)c(C2CCN(C(=O)c3ccccc3F)CC2)n1.
What is the InChIKey of [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is BEYUUDAIFRPFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-17-9-10-20(24(30)27-13-5-2-6-14-27)22(26-17)18-11-15-28(16-12-18)23(29)19-7-3-4-8-21(19)25/h3-4,7-10,18H,2,5-6,11-16H2,1H3.
What are the key properties of [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-piperidin-1-ylmethanone?
[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 409.51 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 46044765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).