N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide

C27H29FN2O — CID 23108853

IUPACN-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C27H29FN2O/c1-20-6-2-4-8-25(20)27(31)29-18-23-7-3-5-9-26(23)22-14-16-30(17-15-22)19-21-10-12-24(28)13-11-21/h2-13,22H,14-19H2,1H3,(H,29,31)
InChIKeyFEWVVXYBGLPZHO-UHFFFAOYSA-N
MW416.54 g/mol
LogP5.44
Rot. Bonds6

About N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide

N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide (PubChem CID 23108853) has the molecular formula C27H29FN2O and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
PubChem CID23108853
Molecular FormulaC27H29FN2O
Molecular Weight416.54 g/mol
Exact Mass416.23
IUPAC NameN-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C27H29FN2O/c1-20-6-2-4-8-25(20)27(31)29-18-23-7-3-5-9-26(23)22-14-16-30(17-15-22)19-21-10-12-24(28)13-11-21/h2-13,22H,14-19H2,1H3,(H,29,31)
InChIKeyFEWVVXYBGLPZHO-UHFFFAOYSA-N
XLogP5.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.54
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 57430092
3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 23108849
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylsulfanylbenzamide
CID 23108417
2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide
CID 23108497
2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
methyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate
CID 57430058
methyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate
CID 57499793
N-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 37016302
3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide
CID 23108491
N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 1445052
N-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
CID 23108836
N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45006997

Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide (CID 23108853) is N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide?
The InChIKey is FEWVVXYBGLPZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O/c1-20-6-2-4-8-25(20)27(31)29-18-23-7-3-5-9-26(23)22-14-16-30(17-15-22)19-21-10-12-24(28)13-11-21/h2-13,22H,14-19H2,1H3,(H,29,31).
What are the key properties of N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide?
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide has a molecular weight of 416.54 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 23108853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).