N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide

C22H27FN2O — CID 94024334

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H27FN2O/c1-16-11-13-25(14-12-16)15-18-3-5-20(6-4-18)22(26)24-17(2)19-7-9-21(23)10-8-19/h3-10,16-17H,11-15H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyXRDDUDMRCSNSIE-QGZVFWFLSA-N
MW354.47 g/mol
LogP4.55
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide (PubChem CID 94024334) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
PubChem CID94024334
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H27FN2O/c1-16-11-13-25(14-12-16)15-18-3-5-20(6-4-18)22(26)24-17(2)19-7-9-21(23)10-8-19/h3-10,16-17H,11-15H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyXRDDUDMRCSNSIE-QGZVFWFLSA-N
XLogP4.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99946484
N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 133249994
N-[(2R)-3-methylbutan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 100568254
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 53279578
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 125063633
1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776173
4-(azepan-1-ylmethyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125044162
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94012016
4-fluoro-N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 38401061
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 25493079
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(piperidin-4-ylmethyl)benzamide
CID 12050154

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide (CID 94024334) is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide is CC1CCN(Cc2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The InChIKey is XRDDUDMRCSNSIE-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-16-11-13-25(14-12-16)15-18-3-5-20(6-4-18)22(26)24-17(2)19-7-9-21(23)10-8-19/h3-10,16-17H,11-15H2,1-2H3,(H,24,26)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide has a molecular weight of 354.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 94024334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).