(3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide

C14H16BrFN2O3 — CID 9406362

IUPAC(3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)COc2ccc(F)cc2Br)C1
InChIInChI=1S/C14H16BrFN2O3/c15-11-6-10(16)3-4-12(11)21-8-13(19)18-5-1-2-9(7-18)14(17)20/h3-4,6,9H,1-2,5,7-8H2,(H2,17,20)/t9-/m0/s1
InChIKeyNLKSNRPFPKKWGL-VIFPVBQESA-N
MW359.20 g/mol
LogP1.69
Rot. Bonds4

About (3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide

(3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide (PubChem CID 9406362) has the molecular formula C14H16BrFN2O3 and a molecular weight of 359.20 g/mol. Its IUPAC name is (3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide
PubChem CID9406362
Molecular FormulaC14H16BrFN2O3
Molecular Weight359.20 g/mol
Exact Mass358.03
IUPAC Name(3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)COc2ccc(F)cc2Br)C1
InChIInChI=1S/C14H16BrFN2O3/c15-11-6-10(16)3-4-12(11)21-8-13(19)18-5-1-2-9(7-18)14(17)20/h3-4,6,9H,1-2,5,7-8H2,(H2,17,20)/t9-/m0/s1
InChIKeyNLKSNRPFPKKWGL-VIFPVBQESA-N
XLogP1.69
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide
CID 99828110
2-(2-bromo-4-fluorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119488313
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525807
(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 8578422
1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 30504708
1-[2-(2-bromo-4-chlorophenoxy)acetyl]piperidine-3-carbohydrazide
CID 54793924
2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767008
2-(2,4-dibromophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403399
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 9333491
2-(4-amino-2-bromophenoxy)-1-pyrrolidin-1-ylethanone
CID 154897691
2-(2-bromo-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 9081184
(3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 38895516

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide (CID 9406362) is (3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)COc2ccc(F)cc2Br)C1.
What is the InChIKey of (3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide?
The InChIKey is NLKSNRPFPKKWGL-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16BrFN2O3/c15-11-6-10(16)3-4-12(11)21-8-13(19)18-5-1-2-9(7-18)14(17)20/h3-4,6,9H,1-2,5,7-8H2,(H2,17,20)/t9-/m0/s1.
What are the key properties of (3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide?
(3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide has a molecular weight of 359.20 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 9406362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).