3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]-N-methylpropanamide

C21H26FN3O2 — CID 19992336

IUPAC3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CCC(C(O)(c2ccc(F)cc2)c2ccccn2)CC1
InChIInChI=1S/C21H26FN3O2/c1-23-20(26)11-15-25-13-9-17(10-14-25)21(27,19-4-2-3-12-24-19)16-5-7-18(22)8-6-16/h2-8,12,17,27H,9-11,13-15H2,1H3,(H,23,26)
InChIKeyCUMBDCHSTNRMSK-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.30
Rot. Bonds6

About 3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]-N-methylpropanamide

3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]-N-methylpropanamide (PubChem CID 19992336) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]-N-methylpropanamide
PubChem CID19992336
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CCC(C(O)(c2ccc(F)cc2)c2ccccn2)CC1
InChIInChI=1S/C21H26FN3O2/c1-23-20(26)11-15-25-13-9-17(10-14-25)21(27,19-4-2-3-12-24-19)16-5-7-18(22)8-6-16/h2-8,12,17,27H,9-11,13-15H2,1H3,(H,23,26)
InChIKeyCUMBDCHSTNRMSK-UHFFFAOYSA-N
XLogP2.30
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]-N-methylpropanamide (CID 19992336) is 3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]-N-methylpropanamide is CNC(=O)CCN1CCC(C(O)(c2ccc(F)cc2)c2ccccn2)CC1.
What is the InChIKey of 3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]-N-methylpropanamide?
The InChIKey is CUMBDCHSTNRMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-23-20(26)11-15-25-13-9-17(10-14-25)21(27,19-4-2-3-12-24-19)16-5-7-18(22)8-6-16/h2-8,12,17,27H,9-11,13-15H2,1H3,(H,23,26).
What are the key properties of 3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]-N-methylpropanamide?
3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]-N-methylpropanamide has a molecular weight of 371.46 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 19992336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).