[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone

C20H23F2N3O — CID 10338507

IUPAC[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C20H23F2N3O/c1-15-2-7-18(24-12-15)13-23-14-20(22)8-10-25(11-9-20)19(26)16-3-5-17(21)6-4-16/h2-7,12,23H,8-11,13-14H2,1H3
InChIKeyQFNPKPKDVHIBAU-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.26
Rot. Bonds5

About [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone

[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 10338507) has the molecular formula C20H23F2N3O and a molecular weight of 359.42 g/mol. Its IUPAC name is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID10338507
Molecular FormulaC20H23F2N3O
Molecular Weight359.42 g/mol
Exact Mass359.18
IUPAC Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C20H23F2N3O/c1-15-2-7-18(24-12-15)13-23-14-20(22)8-10-25(11-9-20)19(26)16-3-5-17(21)6-4-16/h2-7,12,23H,8-11,13-14H2,1H3
InChIKeyQFNPKPKDVHIBAU-UHFFFAOYSA-N
XLogP3.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone (CID 10338507) is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone is Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)cc3)CC2)nc1.
What is the InChIKey of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is QFNPKPKDVHIBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O/c1-15-2-7-18(24-12-15)13-23-14-20(22)8-10-25(11-9-20)19(26)16-3-5-17(21)6-4-16/h2-7,12,23H,8-11,13-14H2,1H3.
What are the key properties of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone?
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 359.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 10338507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).