N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide

C22H26ClFN2O — CID 45179371

IUPACN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide
SMILESCN(CC1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H26ClFN2O/c1-25(22(27)19-6-10-21(24)11-7-19)15-18-3-2-13-26(16-18)14-12-17-4-8-20(23)9-5-17/h4-11,18H,2-3,12-16H2,1H3
InChIKeyWAOBIZUHEKXKLE-UHFFFAOYSA-N
MW388.91 g/mol
LogP4.51
Rot. Bonds6

About N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide

N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide (PubChem CID 45179371) has the molecular formula C22H26ClFN2O and a molecular weight of 388.91 g/mol. Its IUPAC name is N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide
PubChem CID45179371
Molecular FormulaC22H26ClFN2O
Molecular Weight388.91 g/mol
Exact Mass388.17
IUPAC NameN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide
SMILESCN(CC1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H26ClFN2O/c1-25(22(27)19-6-10-21(24)11-7-19)15-18-3-2-13-26(16-18)14-12-17-4-8-20(23)9-5-17/h4-11,18H,2-3,12-16H2,1H3
InChIKeyWAOBIZUHEKXKLE-UHFFFAOYSA-N
XLogP4.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.91
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide?
The IUPAC name of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide (CID 45179371) is N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide is CN(CC1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide?
The InChIKey is WAOBIZUHEKXKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O/c1-25(22(27)19-6-10-21(24)11-7-19)15-18-3-2-13-26(16-18)14-12-17-4-8-20(23)9-5-17/h4-11,18H,2-3,12-16H2,1H3.
What are the key properties of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide?
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide has a molecular weight of 388.91 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 45179371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).