N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(3-fluoro-2-pyridinyl)propanamide

C22H28FN3O — CID 162666096

IUPACN-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(3-fluoro-2-pyridinyl)propanamide
SMILESCCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ncccc1F
InChIInChI=1S/C22H28FN3O/c1-2-21(27)26(22-20(23)9-6-12-24-22)16-15-25-13-10-19(11-14-25)17-18-7-4-3-5-8-18/h3-9,12,19H,2,10-11,13-17H2,1H3
InChIKeyOHUPAGPURNPZQQ-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.92
Rot. Bonds7

About N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(3-fluoro-2-pyridinyl)propanamide

N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(3-fluoro-2-pyridinyl)propanamide (PubChem CID 162666096) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(3-fluoro-2-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(3-fluoro-2-pyridinyl)propanamide
PubChem CID162666096
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(3-fluoro-2-pyridinyl)propanamide
SMILESCCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ncccc1F
InChIInChI=1S/C22H28FN3O/c1-2-21(27)26(22-20(23)9-6-12-24-22)16-15-25-13-10-19(11-14-25)17-18-7-4-3-5-8-18/h3-9,12,19H,2,10-11,13-17H2,1H3
InChIKeyOHUPAGPURNPZQQ-UHFFFAOYSA-N
XLogP3.92
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(3-fluoro-2-pyridinyl)propanamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(3-fluoro-2-pyridinyl)propanamide (CID 162666096) is N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(3-fluoro-2-pyridinyl)propanamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(3-fluoro-2-pyridinyl)propanamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(3-fluoro-2-pyridinyl)propanamide is CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ncccc1F.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(3-fluoro-2-pyridinyl)propanamide?
The InChIKey is OHUPAGPURNPZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-2-21(27)26(22-20(23)9-6-12-24-22)16-15-25-13-10-19(11-14-25)17-18-7-4-3-5-8-18/h3-9,12,19H,2,10-11,13-17H2,1H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(3-fluoro-2-pyridinyl)propanamide?
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(3-fluoro-2-pyridinyl)propanamide has a molecular weight of 369.48 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(3-fluoro-2-pyridinyl)propanamide is sourced from PubChem (CID 162666096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).