N,N-diethyl-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide

C19H27FN2O2 — CID 91903822

IUPACN,N-diethyl-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
SMILESCCN(CC)C(=O)CCC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H27FN2O2/c1-3-21(4-2)18(23)10-9-15-11-13-22(14-12-15)19(24)16-7-5-6-8-17(16)20/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyRKXQBKCFSPEDJA-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.33
Rot. Bonds6

About N,N-diethyl-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide

N,N-diethyl-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide (PubChem CID 91903822) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is N,N-diethyl-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
PubChem CID91903822
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC NameN,N-diethyl-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
SMILESCCN(CC)C(=O)CCC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H27FN2O2/c1-3-21(4-2)18(23)10-9-15-11-13-22(14-12-15)19(24)16-7-5-6-8-17(16)20/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyRKXQBKCFSPEDJA-UHFFFAOYSA-N
XLogP3.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of N,N-diethyl-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide (CID 91903822) is N,N-diethyl-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N,N-diethyl-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for N,N-diethyl-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide is CCN(CC)C(=O)CCC1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of N,N-diethyl-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
The InChIKey is RKXQBKCFSPEDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-3-21(4-2)18(23)10-9-15-11-13-22(14-12-15)19(24)16-7-5-6-8-17(16)20/h5-8,15H,3-4,9-14H2,1-2H3.
What are the key properties of N,N-diethyl-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
N,N-diethyl-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide has a molecular weight of 334.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 91903822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).