1-[(2-fluorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one

C20H27FN2O3 — CID 45250129

IUPAC1-[(2-fluorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC(CCO)CC2)CN1Cc1ccccc1F
InChIInChI=1S/C20H27FN2O3/c21-18-4-2-1-3-16(18)13-23-14-17(5-6-19(23)25)20(26)22-10-7-15(8-11-22)9-12-24/h1-4,15,17,24H,5-14H2
InChIKeyZQBYLNJPVNLWTP-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.19
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one

1-[(2-fluorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 45250129) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID45250129
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Name1-[(2-fluorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC(CCO)CC2)CN1Cc1ccccc1F
InChIInChI=1S/C20H27FN2O3/c21-18-4-2-1-3-16(18)13-23-14-17(5-6-19(23)25)20(26)22-10-7-15(8-11-22)9-12-24/h1-4,15,17,24H,5-14H2
InChIKeyZQBYLNJPVNLWTP-UHFFFAOYSA-N
XLogP2.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one (CID 45250129) is 1-[(2-fluorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one is O=C1CCC(C(=O)N2CCC(CCO)CC2)CN1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is ZQBYLNJPVNLWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3/c21-18-4-2-1-3-16(18)13-23-14-17(5-6-19(23)25)20(26)22-10-7-15(8-11-22)9-12-24/h1-4,15,17,24H,5-14H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one?
1-[(2-fluorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 362.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 45250129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).