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

C27H29FN2O2 — CID 57430058

IUPACmethyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate
SMILESCOC(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C27H29FN2O2/c1-32-27(31)30(25-8-3-2-4-9-25)20-23-7-5-6-10-26(23)22-15-17-29(18-16-22)19-21-11-13-24(28)14-12-21/h2-14,22H,15-20H2,1H3
InChIKeyYACQENJWEFRPQN-UHFFFAOYSA-N
MW432.54 g/mol
LogP5.98
Rot. Bonds6

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

methyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate (PubChem CID 57430058) has the molecular formula C27H29FN2O2 and a molecular weight of 432.54 g/mol. Its IUPAC name is methyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate.

Molecular Properties

Compound Namemethyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate
PubChem CID57430058
Molecular FormulaC27H29FN2O2
Molecular Weight432.54 g/mol
Exact Mass432.22
IUPAC Namemethyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate
SMILESCOC(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C27H29FN2O2/c1-32-27(31)30(25-8-3-2-4-9-25)20-23-7-5-6-10-26(23)22-15-17-29(18-16-22)19-21-11-13-24(28)14-12-21/h2-14,22H,15-20H2,1H3
InChIKeyYACQENJWEFRPQN-UHFFFAOYSA-N
XLogP5.98
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate
CID 57499793
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(2-methoxyphenyl)acetamide
CID 23108892
3-ethyl-1-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-1-(3-methoxyphenyl)urea
CID 23108642
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylmethanesulfonamide
CID 23108898
N-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
CID 23108836
methyl N-benzyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylphenyl]methyl]carbamate
CID 69494799
methyl N-benzyl-N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-methoxyphenyl]carbamate
CID 69494822
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 23108853
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylsulfanylbenzamide
CID 23108417
5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 57430092
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 23108743
3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 23108849

Frequently Asked Questions

What is the IUPAC name of methyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate?
The IUPAC name of methyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate (CID 57430058) is methyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate.
What is the SMILES notation for methyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate?
The canonical SMILES for methyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate is COC(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of methyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate?
The InChIKey is YACQENJWEFRPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O2/c1-32-27(31)30(25-8-3-2-4-9-25)20-23-7-5-6-10-26(23)22-15-17-29(18-16-22)19-21-11-13-24(28)14-12-21/h2-14,22H,15-20H2,1H3.
What are the key properties of methyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate?
methyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate has a molecular weight of 432.54 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate is sourced from PubChem (CID 57430058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).