N-[1-[(3-bromophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide

C15H21BrN2O2 — CID 156601734

IUPACN-[1-[(3-bromophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2cccc(Br)c2)CC1CO
InChIInChI=1S/C15H21BrN2O2/c1-11(20)17-15-5-6-18(9-13(15)10-19)8-12-3-2-4-14(16)7-12/h2-4,7,13,15,19H,5-6,8-10H2,1H3,(H,17,20)
InChIKeyJZLWOMOXXGDIQX-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.77
Rot. Bonds4

About N-[1-[(3-bromophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide

N-[1-[(3-bromophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide (PubChem CID 156601734) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-[1-[(3-bromophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-bromophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
PubChem CID156601734
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-[1-[(3-bromophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2cccc(Br)c2)CC1CO
InChIInChI=1S/C15H21BrN2O2/c1-11(20)17-15-5-6-18(9-13(15)10-19)8-12-3-2-4-14(16)7-12/h2-4,7,13,15,19H,5-6,8-10H2,1H3,(H,17,20)
InChIKeyJZLWOMOXXGDIQX-UHFFFAOYSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-bromophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(3-bromophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide (CID 156601734) is N-[1-[(3-bromophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(3-bromophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(3-bromophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(Cc2cccc(Br)c2)CC1CO.
What is the InChIKey of N-[1-[(3-bromophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide?
The InChIKey is JZLWOMOXXGDIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-11(20)17-15-5-6-18(9-13(15)10-19)8-12-3-2-4-14(16)7-12/h2-4,7,13,15,19H,5-6,8-10H2,1H3,(H,17,20).
What are the key properties of N-[1-[(3-bromophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide?
N-[1-[(3-bromophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide has a molecular weight of 341.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-bromophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 156601734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).