N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide

C20H30FN3O2 — CID 45195794

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide
SMILESCN(C(=O)CN1CCC(O)CC1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H30FN3O2/c1-22(20(26)15-23-11-8-18(25)9-12-23)17-6-4-10-24(14-17)13-16-5-2-3-7-19(16)21/h2-3,5,7,17-18,25H,4,6,8-15H2,1H3
InChIKeyIXBUYKVFIIITPB-UHFFFAOYSA-N
MW363.48 g/mol
LogP1.71
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide (PubChem CID 45195794) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide
PubChem CID45195794
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide
SMILESCN(C(=O)CN1CCC(O)CC1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H30FN3O2/c1-22(20(26)15-23-11-8-18(25)9-12-23)17-6-4-10-24(14-17)13-16-5-2-3-7-19(16)21/h2-3,5,7,17-18,25H,4,6,8-15H2,1H3
InChIKeyIXBUYKVFIIITPB-UHFFFAOYSA-N
XLogP1.71
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide (CID 45195794) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide is CN(C(=O)CN1CCC(O)CC1)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide?
The InChIKey is IXBUYKVFIIITPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O2/c1-22(20(26)15-23-11-8-18(25)9-12-23)17-6-4-10-24(14-17)13-16-5-2-3-7-19(16)21/h2-3,5,7,17-18,25H,4,6,8-15H2,1H3.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide has a molecular weight of 363.48 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 45195794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).