2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxyethyl carbamate

C17H23FN2O4 — CID 173090240

IUPAC2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxyethyl carbamate
SMILESNC(=O)OCCOC1CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O4/c18-14-4-1-13(2-5-14)3-6-16(21)20-9-7-15(8-10-20)23-11-12-24-17(19)22/h1-2,4-5,15H,3,6-12H2,(H2,19,22)
InChIKeyGOHPBJNUMHQFTD-UHFFFAOYSA-N
MW338.38 g/mol
LogP1.86
Rot. Bonds7

About 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxyethyl carbamate

2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxyethyl carbamate (PubChem CID 173090240) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxyethyl carbamate.

Molecular Properties

Compound Name2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxyethyl carbamate
PubChem CID173090240
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxyethyl carbamate
SMILESNC(=O)OCCOC1CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O4/c18-14-4-1-13(2-5-14)3-6-16(21)20-9-7-15(8-10-20)23-11-12-24-17(19)22/h1-2,4-5,15H,3,6-12H2,(H2,19,22)
InChIKeyGOHPBJNUMHQFTD-UHFFFAOYSA-N
XLogP1.86
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 82688051
N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide
CID 173093781
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one;hydrochloride
CID 119644081
3-cyclopentyl-1-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021012
4-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 82486693
2,2,2-trifluoro-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 108933023
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822653
3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 70307419
1-(4-ethoxypiperidin-1-yl)-3-[(4-fluorophenyl)methylsulfanyl]propan-1-one
CID 50971180
N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
CID 91918293
[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 82701843
2-[4-[3-(4-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]acetamide
CID 47078406

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxyethyl carbamate?
The IUPAC name of 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxyethyl carbamate (CID 173090240) is 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxyethyl carbamate.
What is the SMILES notation for 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxyethyl carbamate?
The canonical SMILES for 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxyethyl carbamate is NC(=O)OCCOC1CCN(C(=O)CCc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxyethyl carbamate?
The InChIKey is GOHPBJNUMHQFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4/c18-14-4-1-13(2-5-14)3-6-16(21)20-9-7-15(8-10-20)23-11-12-24-17(19)22/h1-2,4-5,15H,3,6-12H2,(H2,19,22).
What are the key properties of 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxyethyl carbamate?
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxyethyl carbamate has a molecular weight of 338.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxyethyl carbamate is sourced from PubChem (CID 173090240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).