4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide

C24H30FN3O2 — CID 42378837

IUPAC4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESO=C(CCC1CCN(C(=O)NCCc2ccccc2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C24H30FN3O2/c25-22-9-6-21(7-10-22)18-27-23(29)11-8-20-13-16-28(17-14-20)24(30)26-15-12-19-4-2-1-3-5-19/h1-7,9-10,20H,8,11-18H2,(H,26,30)(H,27,29)
InChIKeyIEDJXMFUSKETFS-UHFFFAOYSA-N
MW411.52 g/mol
LogP3.89
Rot. Bonds8

About 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide

4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 42378837) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID42378837
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESO=C(CCC1CCN(C(=O)NCCc2ccccc2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C24H30FN3O2/c25-22-9-6-21(7-10-22)18-27-23(29)11-8-20-13-16-28(17-14-20)24(30)26-15-12-19-4-2-1-3-5-19/h1-7,9-10,20H,8,11-18H2,(H,26,30)(H,27,29)
InChIKeyIEDJXMFUSKETFS-UHFFFAOYSA-N
XLogP3.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 26409623
N-[(4-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 24817713
N-(1,1-dioxothiolan-3-yl)-4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 45207766
N-[(4-fluorophenyl)methyl]-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 25381636
N-[(4-fluorophenyl)methyl]-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 45246303
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide
CID 108946418
3-(4-fluorophenyl)-N-(2-phenylethyl)azepane-1-carboxamide
CID 86263909
N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide
CID 107654135
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
N-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide
CID 97278133

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide (CID 42378837) is 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide is O=C(CCC1CCN(C(=O)NCCc2ccccc2)CC1)NCc1ccc(F)cc1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is IEDJXMFUSKETFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c25-22-9-6-21(7-10-22)18-27-23(29)11-8-20-13-16-28(17-14-20)24(30)26-15-12-19-4-2-1-3-5-19/h1-7,9-10,20H,8,11-18H2,(H,26,30)(H,27,29).
What are the key properties of 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide?
4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 42378837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).