benzyl N-benzyl-N-[1-(2-fluorophenyl)-3-methoxypiperidin-4-yl]carbamate

C27H29FN2O3 — CID 141335263

IUPACbenzyl N-benzyl-N-[1-(2-fluorophenyl)-3-methoxypiperidin-4-yl]carbamate
SMILESCOC1CN(c2ccccc2F)CCC1N(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C27H29FN2O3/c1-32-26-19-29(24-15-9-8-14-23(24)28)17-16-25(26)30(18-21-10-4-2-5-11-21)27(31)33-20-22-12-6-3-7-13-22/h2-15,25-26H,16-20H2,1H3
InChIKeyFMFSLPVUEOMORN-UHFFFAOYSA-N
MW448.54 g/mol
LogP5.26
Rot. Bonds7

About benzyl N-benzyl-N-[1-(2-fluorophenyl)-3-methoxypiperidin-4-yl]carbamate

benzyl N-benzyl-N-[1-(2-fluorophenyl)-3-methoxypiperidin-4-yl]carbamate (PubChem CID 141335263) has the molecular formula C27H29FN2O3 and a molecular weight of 448.54 g/mol. Its IUPAC name is benzyl N-benzyl-N-[1-(2-fluorophenyl)-3-methoxypiperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-benzyl-N-[1-(2-fluorophenyl)-3-methoxypiperidin-4-yl]carbamate
PubChem CID141335263
Molecular FormulaC27H29FN2O3
Molecular Weight448.54 g/mol
Exact Mass448.22
IUPAC Namebenzyl N-benzyl-N-[1-(2-fluorophenyl)-3-methoxypiperidin-4-yl]carbamate
SMILESCOC1CN(c2ccccc2F)CCC1N(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C27H29FN2O3/c1-32-26-19-29(24-15-9-8-14-23(24)28)17-16-25(26)30(18-21-10-4-2-5-11-21)27(31)33-20-22-12-6-3-7-13-22/h2-15,25-26H,16-20H2,1H3
InChIKeyFMFSLPVUEOMORN-UHFFFAOYSA-N
XLogP5.26
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R,4S)-4-[benzyl(phenylmethoxycarbonyl)amino]-3-methoxypiperidin-1-yl]-5-methylbenzoic acid
CID 142729240
benzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzylcarbamate
CID 175103285
benzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate
CID 68612218
(3R,4S)-4-(dibenzylamino)-3-methoxypiperidine-1-carboxylic acid
CID 70048023
benzyl N-benzyl-N-[(3R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxoazetidin-3-yl]carbamate
CID 91991943
benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid
CID 168862112
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
methyl (1S,2S,3S,4R)-3-[benzyl(phenylmethoxycarbonyl)amino]-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 102354062
tert-butyl 2-[benzyl(phenylmethoxycarbonyl)amino]-6-azabicyclo[3.1.0]hexane-6-carboxylate
CID 167445473
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
benzyl N-(4-hydroxycyclohexyl)-N-[(2,4,5-trifluorophenyl)methyl]carbamate
CID 69197791

Frequently Asked Questions

What is the IUPAC name of benzyl N-benzyl-N-[1-(2-fluorophenyl)-3-methoxypiperidin-4-yl]carbamate?
The IUPAC name of benzyl N-benzyl-N-[1-(2-fluorophenyl)-3-methoxypiperidin-4-yl]carbamate (CID 141335263) is benzyl N-benzyl-N-[1-(2-fluorophenyl)-3-methoxypiperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-benzyl-N-[1-(2-fluorophenyl)-3-methoxypiperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-benzyl-N-[1-(2-fluorophenyl)-3-methoxypiperidin-4-yl]carbamate is COC1CN(c2ccccc2F)CCC1N(Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-benzyl-N-[1-(2-fluorophenyl)-3-methoxypiperidin-4-yl]carbamate?
The InChIKey is FMFSLPVUEOMORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O3/c1-32-26-19-29(24-15-9-8-14-23(24)28)17-16-25(26)30(18-21-10-4-2-5-11-21)27(31)33-20-22-12-6-3-7-13-22/h2-15,25-26H,16-20H2,1H3.
What are the key properties of benzyl N-benzyl-N-[1-(2-fluorophenyl)-3-methoxypiperidin-4-yl]carbamate?
benzyl N-benzyl-N-[1-(2-fluorophenyl)-3-methoxypiperidin-4-yl]carbamate has a molecular weight of 448.54 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-benzyl-N-[1-(2-fluorophenyl)-3-methoxypiperidin-4-yl]carbamate is sourced from PubChem (CID 141335263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).