[1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate

C29H31FN2O4 — CID 71133930

IUPAC[1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate
SMILESCOc1ccc(CCNC(=O)OC2(c3ccccc3)CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C29H31FN2O4/c1-35-26-13-9-22(10-14-26)15-18-31-28(34)36-29(24-5-3-2-4-6-24)16-19-32(20-17-29)27(33)21-23-7-11-25(30)12-8-23/h2-14H,15-21H2,1H3,(H,31,34)
InChIKeyCPKYXMYIAORMRI-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.86
Rot. Bonds8

About [1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate

[1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate (PubChem CID 71133930) has the molecular formula C29H31FN2O4 and a molecular weight of 490.58 g/mol. Its IUPAC name is [1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Name[1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate
PubChem CID71133930
Molecular FormulaC29H31FN2O4
Molecular Weight490.58 g/mol
Exact Mass490.23
IUPAC Name[1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate
SMILESCOc1ccc(CCNC(=O)OC2(c3ccccc3)CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C29H31FN2O4/c1-35-26-13-9-22(10-14-26)15-18-31-28(34)36-29(24-5-3-2-4-6-24)16-19-32(20-17-29)27(33)21-23-7-11-25(30)12-8-23/h2-14H,15-21H2,1H3,(H,31,34)
InChIKeyCPKYXMYIAORMRI-UHFFFAOYSA-N
XLogP4.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[3-(4-fluorophenyl)propanoyl]-4-phenylpiperidin-4-yl] N-[2-(4-chlorophenyl)ethyl]carbamate
CID 71133973
[1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-(3-phenylpropyl)carbamate
CID 71134014
[1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate
CID 71133933
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695
3-(4-fluorophenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110611368
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 29207413
N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide
CID 52999173
2-(4-fluorophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 55574750
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004740
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158
N-[2-(4-methoxyphenyl)ethyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-carboxamide
CID 175653653

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate?
The IUPAC name of [1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate (CID 71133930) is [1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for [1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for [1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate is COc1ccc(CCNC(=O)OC2(c3ccccc3)CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate?
The InChIKey is CPKYXMYIAORMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2O4/c1-35-26-13-9-22(10-14-26)15-18-31-28(34)36-29(24-5-3-2-4-6-24)16-19-32(20-17-29)27(33)21-23-7-11-25(30)12-8-23/h2-14H,15-21H2,1H3,(H,31,34).
What are the key properties of [1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate?
[1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate has a molecular weight of 490.58 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidin-4-yl] N-[2-(4-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 71133930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).