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

C23H30FN3O — CID 166632679

IUPACN-[2-(4-benzylpiperidin-1-yl)propyl]-N-(3-fluoro-2-pyridinyl)propanamide
SMILESCCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ncccc1F
InChIInChI=1S/C23H30FN3O/c1-3-22(28)27(23-21(24)10-7-13-25-23)17-18(2)26-14-11-20(12-15-26)16-19-8-5-4-6-9-19/h4-10,13,18,20H,3,11-12,14-17H2,1-2H3
InChIKeyOBBPSRVRTSXWRI-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.31
Rot. Bonds7

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

N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(3-fluoro-2-pyridinyl)propanamide (PubChem CID 166632679) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(3-fluoro-2-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)propyl]-N-(3-fluoro-2-pyridinyl)propanamide
PubChem CID166632679
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)propyl]-N-(3-fluoro-2-pyridinyl)propanamide
SMILESCCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ncccc1F
InChIInChI=1S/C23H30FN3O/c1-3-22(28)27(23-21(24)10-7-13-25-23)17-18(2)26-14-11-20(12-15-26)16-19-8-5-4-6-9-19/h4-10,13,18,20H,3,11-12,14-17H2,1-2H3
InChIKeyOBBPSRVRTSXWRI-UHFFFAOYSA-N
XLogP4.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.31
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)propyl]-N-(3-fluoro-2-pyridinyl)propanamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(3-fluoro-2-pyridinyl)propanamide (CID 166632679) is N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(3-fluoro-2-pyridinyl)propanamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(3-fluoro-2-pyridinyl)propanamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(3-fluoro-2-pyridinyl)propanamide is CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ncccc1F.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(3-fluoro-2-pyridinyl)propanamide?
The InChIKey is OBBPSRVRTSXWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c1-3-22(28)27(23-21(24)10-7-13-25-23)17-18(2)26-14-11-20(12-15-26)16-19-8-5-4-6-9-19/h4-10,13,18,20H,3,11-12,14-17H2,1-2H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(3-fluoro-2-pyridinyl)propanamide?
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(3-fluoro-2-pyridinyl)propanamide has a molecular weight of 383.51 g/mol, XLogP of 4.31, 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)propyl]-N-(3-fluoro-2-pyridinyl)propanamide is sourced from PubChem (CID 166632679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).