4-fluoro-N-[2-[1-(7-methoxynaphthalen-1-yl)piperidin-4-yl]ethyl]benzamide;hydrochloride

C25H28ClFN2O2 — CID 139641403

IUPAC4-fluoro-N-[2-[1-(7-methoxynaphthalen-1-yl)piperidin-4-yl]ethyl]benzamide;hydrochloride
SMILESCOc1ccc2cccc(N3CCC(CCNC(=O)c4ccc(F)cc4)CC3)c2c1.Cl
InChIInChI=1S/C25H27FN2O2.ClH/c1-30-22-10-7-19-3-2-4-24(23(19)17-22)28-15-12-18(13-16-28)11-14-27-25(29)20-5-8-21(26)9-6-20;/h2-10,17-18H,11-16H2,1H3,(H,27,29);1H
InChIKeyYIAARQAVAPPSHG-UHFFFAOYSA-N
MW442.96 g/mol
LogP5.45
Rot. Bonds6

About 4-fluoro-N-[2-[1-(7-methoxynaphthalen-1-yl)piperidin-4-yl]ethyl]benzamide;hydrochloride

4-fluoro-N-[2-[1-(7-methoxynaphthalen-1-yl)piperidin-4-yl]ethyl]benzamide;hydrochloride (PubChem CID 139641403) has the molecular formula C25H28ClFN2O2 and a molecular weight of 442.96 g/mol. Its IUPAC name is 4-fluoro-N-[2-[1-(7-methoxynaphthalen-1-yl)piperidin-4-yl]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-N-[2-[1-(7-methoxynaphthalen-1-yl)piperidin-4-yl]ethyl]benzamide;hydrochloride
PubChem CID139641403
Molecular FormulaC25H28ClFN2O2
Molecular Weight442.96 g/mol
Exact Mass442.18
IUPAC Name4-fluoro-N-[2-[1-(7-methoxynaphthalen-1-yl)piperidin-4-yl]ethyl]benzamide;hydrochloride
SMILESCOc1ccc2cccc(N3CCC(CCNC(=O)c4ccc(F)cc4)CC3)c2c1.Cl
InChIInChI=1S/C25H27FN2O2.ClH/c1-30-22-10-7-19-3-2-4-24(23(19)17-22)28-15-12-18(13-16-28)11-14-27-25(29)20-5-8-21(26)9-6-20;/h2-10,17-18H,11-16H2,1H3,(H,27,29);1H
InChIKeyYIAARQAVAPPSHG-UHFFFAOYSA-N
XLogP5.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.96
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-4-methoxybenzamide
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N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[1-(7-methoxynaphthalen-1-yl)piperidin-4-yl]ethyl]benzamide;hydrochloride?
The IUPAC name of 4-fluoro-N-[2-[1-(7-methoxynaphthalen-1-yl)piperidin-4-yl]ethyl]benzamide;hydrochloride (CID 139641403) is 4-fluoro-N-[2-[1-(7-methoxynaphthalen-1-yl)piperidin-4-yl]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-fluoro-N-[2-[1-(7-methoxynaphthalen-1-yl)piperidin-4-yl]ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-fluoro-N-[2-[1-(7-methoxynaphthalen-1-yl)piperidin-4-yl]ethyl]benzamide;hydrochloride is COc1ccc2cccc(N3CCC(CCNC(=O)c4ccc(F)cc4)CC3)c2c1.Cl.
What is the InChIKey of 4-fluoro-N-[2-[1-(7-methoxynaphthalen-1-yl)piperidin-4-yl]ethyl]benzamide;hydrochloride?
The InChIKey is YIAARQAVAPPSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2.ClH/c1-30-22-10-7-19-3-2-4-24(23(19)17-22)28-15-12-18(13-16-28)11-14-27-25(29)20-5-8-21(26)9-6-20;/h2-10,17-18H,11-16H2,1H3,(H,27,29);1H.
What are the key properties of 4-fluoro-N-[2-[1-(7-methoxynaphthalen-1-yl)piperidin-4-yl]ethyl]benzamide;hydrochloride?
4-fluoro-N-[2-[1-(7-methoxynaphthalen-1-yl)piperidin-4-yl]ethyl]benzamide;hydrochloride has a molecular weight of 442.96 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[1-(7-methoxynaphthalen-1-yl)piperidin-4-yl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 139641403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).