[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone

C23H32FN3O — CID 52945241

IUPAC[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)C34CC5CC(CC3C5)C4)CC2)nc1
InChIInChI=1S/C23H32FN3O/c1-16-2-3-20(26-13-16)14-25-15-22(24)4-6-27(7-5-22)21(28)23-11-17-8-18(12-23)10-19(23)9-17/h2-3,13,17-19,25H,4-12,14-15H2,1H3
InChIKeyIJTCNSQAGSIBJW-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.64
Rot. Bonds5

About [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone

[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone (PubChem CID 52945241) has the molecular formula C23H32FN3O and a molecular weight of 385.53 g/mol. Its IUPAC name is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone.

Molecular Properties

Compound Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone
PubChem CID52945241
Molecular FormulaC23H32FN3O
Molecular Weight385.53 g/mol
Exact Mass385.25
IUPAC Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)C34CC5CC(CC3C5)C4)CC2)nc1
InChIInChI=1S/C23H32FN3O/c1-16-2-3-20(26-13-16)14-25-15-22(24)4-6-27(7-5-22)21(28)23-11-17-8-18(12-23)10-19(23)9-17/h2-3,13,17-19,25H,4-12,14-15H2,1H3
InChIKeyIJTCNSQAGSIBJW-UHFFFAOYSA-N
XLogP3.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone?
The IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone (CID 52945241) is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone.
What is the SMILES notation for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone?
The canonical SMILES for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone is Cc1ccc(CNCC2(F)CCN(C(=O)C34CC5CC(CC3C5)C4)CC2)nc1.
What is the InChIKey of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone?
The InChIKey is IJTCNSQAGSIBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O/c1-16-2-3-20(26-13-16)14-25-15-22(24)4-6-27(7-5-22)21(28)23-11-17-8-18(12-23)10-19(23)9-17/h2-3,13,17-19,25H,4-12,14-15H2,1H3.
What are the key properties of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone?
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone has a molecular weight of 385.53 g/mol, XLogP of 3.64, 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]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone is sourced from PubChem (CID 52945241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).