N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide

C14H19BrN2O2 — CID 60684623

IUPACN-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1CO)Nc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c15-11-4-3-5-12(8-11)16-14(19)9-17-7-2-1-6-13(17)10-18/h3-5,8,13,18H,1-2,6-7,9-10H2,(H,16,19)
InChIKeySQIXOIZDEZXNIX-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.23
Rot. Bonds4

About N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide

N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 60684623) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID60684623
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1CO)Nc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c15-11-4-3-5-12(8-11)16-14(19)9-17-7-2-1-6-13(17)10-18/h3-5,8,13,18H,1-2,6-7,9-10H2,(H,16,19)
InChIKeySQIXOIZDEZXNIX-UHFFFAOYSA-N
XLogP2.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide
CID 79536734
N-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407514
N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684715
N-(3-fluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62046362
N-(3,4-difluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684646
N-(4-bromo-2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60685225
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 62046860
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684923
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241
N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637305
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
N-(2,6-dimethylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684578

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide (CID 60684623) is N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide is O=C(CN1CCCCC1CO)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is SQIXOIZDEZXNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-11-4-3-5-12(8-11)16-14(19)9-17-7-2-1-6-13(17)10-18/h3-5,8,13,18H,1-2,6-7,9-10H2,(H,16,19).
What are the key properties of N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 327.22 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 60684623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).