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

C27H35FN2O2 — CID 57499793

IUPACmethyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate
SMILESCOC(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)C1CCCCC1
InChIInChI=1S/C27H35FN2O2/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/h5-7,10-14,22,25H,2-4,8-9,15-20H2,1H3
InChIKeySMZFSMVTKHYSTO-UHFFFAOYSA-N
MW438.59 g/mol
LogP6.11
Rot. Bonds6

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

methyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate (PubChem CID 57499793) has the molecular formula C27H35FN2O2 and a molecular weight of 438.59 g/mol. Its IUPAC name is methyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate
PubChem CID57499793
Molecular FormulaC27H35FN2O2
Molecular Weight438.59 g/mol
Exact Mass438.27
IUPAC Namemethyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate
SMILESCOC(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)C1CCCCC1
InChIInChI=1S/C27H35FN2O2/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/h5-7,10-14,22,25H,2-4,8-9,15-20H2,1H3
InChIKeySMZFSMVTKHYSTO-UHFFFAOYSA-N
XLogP6.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.59
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate with MolForge

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Related Compounds

methyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate
CID 57430058
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(2-methoxyphenyl)acetamide
CID 23108892
methyl N-benzyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylphenyl]methyl]carbamate
CID 69494799
N-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
CID 23108836
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-[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
methyl N-benzyl-N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-methoxyphenyl]carbamate
CID 69494822
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-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate?
The IUPAC name of methyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate (CID 57499793) is methyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate.
What is the SMILES notation for methyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate?
The canonical SMILES for methyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate is COC(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)C1CCCCC1.
What is the InChIKey of methyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate?
The InChIKey is SMZFSMVTKHYSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN2O2/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/h5-7,10-14,22,25H,2-4,8-9,15-20H2,1H3.
What are the key properties of methyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate?
methyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate has a molecular weight of 438.59 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 57499793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).