[2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone

C23H28FN3O2 — CID 91913493

IUPAC[2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1OCC1CCCN(Cc2ccncc2F)C1)N1CCCC1
InChIInChI=1S/C23H28FN3O2/c24-21-14-25-10-9-19(21)16-26-11-5-6-18(15-26)17-29-22-8-2-1-7-20(22)23(28)27-12-3-4-13-27/h1-2,7-10,14,18H,3-6,11-13,15-17H2
InChIKeySDBVZNDQHLUPSZ-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.75
Rot. Bonds6

About [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone

[2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 91913493) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID91913493
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name[2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1OCC1CCCN(Cc2ccncc2F)C1)N1CCCC1
InChIInChI=1S/C23H28FN3O2/c24-21-14-25-10-9-19(21)16-26-11-5-6-18(15-26)17-29-22-8-2-1-7-20(22)23(28)27-12-3-4-13-27/h1-2,7-10,14,18H,3-6,11-13,15-17H2
InChIKeySDBVZNDQHLUPSZ-UHFFFAOYSA-N
XLogP3.75
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone (CID 91913493) is [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccccc1OCC1CCCN(Cc2ccncc2F)C1)N1CCCC1.
What is the InChIKey of [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is SDBVZNDQHLUPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c24-21-14-25-10-9-19(21)16-26-11-5-6-18(15-26)17-29-22-8-2-1-7-20(22)23(28)27-12-3-4-13-27/h1-2,7-10,14,18H,3-6,11-13,15-17H2.
What are the key properties of [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
[2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 397.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 91913493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).