3-(2-fluorophenyl)-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide

C19H23FN4O2 — CID 110123660

IUPAC3-(2-fluorophenyl)-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide
SMILESO=C(CCc1ccccc1F)NCC1(O)CCCN(c2ncccn2)C1
InChIInChI=1S/C19H23FN4O2/c20-16-6-2-1-5-15(16)7-8-17(25)23-13-19(26)9-3-12-24(14-19)18-21-10-4-11-22-18/h1-2,4-6,10-11,26H,3,7-9,12-14H2,(H,23,25)
InChIKeyKRKNLZHXDVWSJG-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.70
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide

3-(2-fluorophenyl)-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide (PubChem CID 110123660) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide
PubChem CID110123660
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name3-(2-fluorophenyl)-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide
SMILESO=C(CCc1ccccc1F)NCC1(O)CCCN(c2ncccn2)C1
InChIInChI=1S/C19H23FN4O2/c20-16-6-2-1-5-15(16)7-8-17(25)23-13-19(26)9-3-12-24(14-19)18-21-10-4-11-22-18/h1-2,4-6,10-11,26H,3,7-9,12-14H2,(H,23,25)
InChIKeyKRKNLZHXDVWSJG-UHFFFAOYSA-N
XLogP1.70
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide (CID 110123660) is 3-(2-fluorophenyl)-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide is O=C(CCc1ccccc1F)NCC1(O)CCCN(c2ncccn2)C1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide?
The InChIKey is KRKNLZHXDVWSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-16-6-2-1-5-15(16)7-8-17(25)23-13-19(26)9-3-12-24(14-19)18-21-10-4-11-22-18/h1-2,4-6,10-11,26H,3,7-9,12-14H2,(H,23,25).
What are the key properties of 3-(2-fluorophenyl)-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide?
3-(2-fluorophenyl)-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide has a molecular weight of 358.42 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide is sourced from PubChem (CID 110123660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).