N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide

C21H25FN2O — CID 10545121

IUPACN-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
SMILESCCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25FN2O/c1-2-21(25)24(19-10-8-18(22)9-11-19)20-12-14-23(15-13-20)16-17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3
InChIKeyPUFHNCRAVCTYOY-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.23
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide

N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide (PubChem CID 10545121) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
PubChem CID10545121
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
SMILESCCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25FN2O/c1-2-21(25)24(19-10-8-18(22)9-11-19)20-12-14-23(15-13-20)16-17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3
InChIKeyPUFHNCRAVCTYOY-UHFFFAOYSA-N
XLogP4.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide (CID 10545121) is N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide is CCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide?
The InChIKey is PUFHNCRAVCTYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-2-21(25)24(19-10-8-18(22)9-11-19)20-12-14-23(15-13-20)16-17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide?
N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide has a molecular weight of 340.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 10545121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).