[1-[3-(4-fluorophenyl)propanoyl]-4-phenylpiperidin-4-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate

C31H33FN2O3 — CID 71134695

IUPAC[1-[3-(4-fluorophenyl)propanoyl]-4-phenylpiperidin-4-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
SMILESO=C(NC1CCCc2ccccc21)OC1(c2ccccc2)CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C31H33FN2O3/c32-26-16-13-23(14-17-26)15-18-29(35)34-21-19-31(20-22-34,25-9-2-1-3-10-25)37-30(36)33-28-12-6-8-24-7-4-5-11-27(24)28/h1-5,7,9-11,13-14,16-17,28H,6,8,12,15,18-22H2,(H,33,36)
InChIKeyBVAKFIGBJHHUEC-UHFFFAOYSA-N
MW500.61 g/mol
LogP6.08
Rot. Bonds6

About [1-[3-(4-fluorophenyl)propanoyl]-4-phenylpiperidin-4-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate

[1-[3-(4-fluorophenyl)propanoyl]-4-phenylpiperidin-4-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate (PubChem CID 71134695) has the molecular formula C31H33FN2O3 and a molecular weight of 500.61 g/mol. Its IUPAC name is [1-[3-(4-fluorophenyl)propanoyl]-4-phenylpiperidin-4-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate.

Molecular Properties

Compound Name[1-[3-(4-fluorophenyl)propanoyl]-4-phenylpiperidin-4-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
PubChem CID71134695
Molecular FormulaC31H33FN2O3
Molecular Weight500.61 g/mol
Exact Mass500.25
IUPAC Name[1-[3-(4-fluorophenyl)propanoyl]-4-phenylpiperidin-4-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
SMILESO=C(NC1CCCc2ccccc21)OC1(c2ccccc2)CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C31H33FN2O3/c32-26-16-13-23(14-17-26)15-18-29(35)34-21-19-31(20-22-34,25-9-2-1-3-10-25)37-30(36)33-28-12-6-8-24-7-4-5-11-27(24)28/h1-5,7,9-11,13-14,16-17,28H,6,8,12,15,18-22H2,(H,33,36)
InChIKeyBVAKFIGBJHHUEC-UHFFFAOYSA-N
XLogP6.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.61
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(4-fluorophenyl)propanoyl]-4-phenylpiperidin-4-yl] N-[2-(4-chlorophenyl)ethyl]carbamate
CID 71133973
1-acetyl-4-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 39897380
[1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate
CID 71133930
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
3-(4-fluorophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43060037
3-(3,4-difluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 46686154
4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid
CID 22240726
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
CID 3701357
3-(4-tert-butylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43876941
3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28578102
1-(4-fluorophenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848239
1-(4-fluorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848241

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-fluorophenyl)propanoyl]-4-phenylpiperidin-4-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
The IUPAC name of [1-[3-(4-fluorophenyl)propanoyl]-4-phenylpiperidin-4-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate (CID 71134695) is [1-[3-(4-fluorophenyl)propanoyl]-4-phenylpiperidin-4-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate.
What is the SMILES notation for [1-[3-(4-fluorophenyl)propanoyl]-4-phenylpiperidin-4-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
The canonical SMILES for [1-[3-(4-fluorophenyl)propanoyl]-4-phenylpiperidin-4-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate is O=C(NC1CCCc2ccccc21)OC1(c2ccccc2)CCN(C(=O)CCc2ccc(F)cc2)CC1.
What is the InChIKey of [1-[3-(4-fluorophenyl)propanoyl]-4-phenylpiperidin-4-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
The InChIKey is BVAKFIGBJHHUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN2O3/c32-26-16-13-23(14-17-26)15-18-29(35)34-21-19-31(20-22-34,25-9-2-1-3-10-25)37-30(36)33-28-12-6-8-24-7-4-5-11-27(24)28/h1-5,7,9-11,13-14,16-17,28H,6,8,12,15,18-22H2,(H,33,36).
What are the key properties of [1-[3-(4-fluorophenyl)propanoyl]-4-phenylpiperidin-4-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
[1-[3-(4-fluorophenyl)propanoyl]-4-phenylpiperidin-4-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate has a molecular weight of 500.61 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-fluorophenyl)propanoyl]-4-phenylpiperidin-4-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate is sourced from PubChem (CID 71134695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).