N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide

C18H26FN3O2 — CID 166601926

IUPACN-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(CC(=O)Nc2ccccc2F)C1
InChIInChI=1S/C18H26FN3O2/c1-18(2,3)21-17(24)13-7-6-10-22(11-13)12-16(23)20-15-9-5-4-8-14(15)19/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyPCBMBLVLTUZTNH-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.39
Rot. Bonds4

About N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide

N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 166601926) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID166601926
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(CC(=O)Nc2ccccc2F)C1
InChIInChI=1S/C18H26FN3O2/c1-18(2,3)21-17(24)13-7-6-10-22(11-13)12-16(23)20-15-9-5-4-8-14(15)19/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyPCBMBLVLTUZTNH-UHFFFAOYSA-N
XLogP2.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918466
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63848548
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918468
N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921368
N-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 166602036
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide
CID 22194026
N-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648320
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 114876510
2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119917633
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119905386

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide (CID 166601926) is N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide is CC(C)(C)NC(=O)C1CCCN(CC(=O)Nc2ccccc2F)C1.
What is the InChIKey of N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is PCBMBLVLTUZTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-18(2,3)21-17(24)13-7-6-10-22(11-13)12-16(23)20-15-9-5-4-8-14(15)19/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide?
N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 166601926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).