4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide

C21H25FN2O2 — CID 55959674

IUPAC4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H25FN2O2/c1-2-26-20-9-5-17(6-10-20)21(25)23-19-11-13-24(14-12-19)15-16-3-7-18(22)8-4-16/h3-10,19H,2,11-15H2,1H3,(H,23,25)
InChIKeyVBPQSMDOZWGSRD-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.62
Rot. Bonds6

About 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide

4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 55959674) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
PubChem CID55959674
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H25FN2O2/c1-2-26-20-9-5-17(6-10-20)21(25)23-19-11-13-24(14-12-19)15-16-3-7-18(22)8-4-16/h3-10,19H,2,11-15H2,1H3,(H,23,25)
InChIKeyVBPQSMDOZWGSRD-UHFFFAOYSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 4551536
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 86812678
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55959686
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-[4-[(4-ethoxyphenyl)methyl]piperidine-4-carbonyl]benzamide
CID 141254518
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 163326478
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55959532

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide (CID 55959674) is 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide is CCOc1ccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is VBPQSMDOZWGSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-2-26-20-9-5-17(6-10-20)21(25)23-19-11-13-24(14-12-19)15-16-3-7-18(22)8-4-16/h3-10,19H,2,11-15H2,1H3,(H,23,25).
What are the key properties of 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 356.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 55959674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).