N-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide

C15H21BrN2O2 — CID 97159907

IUPACN-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(CCOc2ccccc2Br)C1
InChIInChI=1S/C15H21BrN2O2/c1-12(19)17-13-5-4-8-18(11-13)9-10-20-15-7-3-2-6-14(15)16/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyRLDJYNMZKAONHK-ZDUSSCGKSA-N
MW341.25 g/mol
LogP2.43
Rot. Bonds5

About N-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide

N-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide (PubChem CID 97159907) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide
PubChem CID97159907
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(CCOc2ccccc2Br)C1
InChIInChI=1S/C15H21BrN2O2/c1-12(19)17-13-5-4-8-18(11-13)9-10-20-15-7-3-2-6-14(15)16/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyRLDJYNMZKAONHK-ZDUSSCGKSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]ethanol
CID 97160833
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine
CID 119918903
2-(3-acetamidopiperidin-1-yl)-N-phenylacetamide
CID 60503649
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 43433400
N-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide
CID 97249806
N-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide
CID 95282014
N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308
N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide
CID 172882645
1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 86869685

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide (CID 97159907) is N-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(CCOc2ccccc2Br)C1.
What is the InChIKey of N-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide?
The InChIKey is RLDJYNMZKAONHK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-12(19)17-13-5-4-8-18(11-13)9-10-20-15-7-3-2-6-14(15)16/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide?
N-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide has a molecular weight of 341.25 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 97159907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).