2-[1-(3-bromo-4-cyanophenyl)piperidin-4-yl]acetamide

C14H16BrN3O — CID 107276144

IUPAC2-[1-(3-bromo-4-cyanophenyl)piperidin-4-yl]acetamide
SMILESN#Cc1ccc(N2CCC(CC(N)=O)CC2)cc1Br
InChIInChI=1S/C14H16BrN3O/c15-13-8-12(2-1-11(13)9-16)18-5-3-10(4-6-18)7-14(17)19/h1-2,8,10H,3-7H2,(H2,17,19)
InChIKeyVIBXQNNWCJDEKQ-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.41
Rot. Bonds3

About 2-[1-(3-bromo-4-cyanophenyl)piperidin-4-yl]acetamide

2-[1-(3-bromo-4-cyanophenyl)piperidin-4-yl]acetamide (PubChem CID 107276144) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-[1-(3-bromo-4-cyanophenyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3-bromo-4-cyanophenyl)piperidin-4-yl]acetamide
PubChem CID107276144
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-[1-(3-bromo-4-cyanophenyl)piperidin-4-yl]acetamide
SMILESN#Cc1ccc(N2CCC(CC(N)=O)CC2)cc1Br
InChIInChI=1S/C14H16BrN3O/c15-13-8-12(2-1-11(13)9-16)18-5-3-10(4-6-18)7-14(17)19/h1-2,8,10H,3-7H2,(H2,17,19)
InChIKeyVIBXQNNWCJDEKQ-UHFFFAOYSA-N
XLogP2.41
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-cyano-4-nitrophenyl)piperidin-4-yl]acetamide
CID 115349364
2-bromo-4-(4-propylazepan-1-yl)benzonitrile
CID 107276420
1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide
CID 107275706
2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide
CID 62912486
2-bromo-4-(4-phenylpiperazin-1-yl)benzonitrile
CID 107275801
2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide
CID 62944524
2-[8-(3-bromo-4-cyanophenyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 107275569
1-(3-bromo-4-cyanophenyl)piperidine-2-carboxylic acid
CID 107275315
2-bromo-4-(2,5-dihydropyrrol-1-yl)benzonitrile
CID 130160926
2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide
CID 79532624
2-(3-bromo-4-cyanophenyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 107275649
2-[1-(5-amino-6-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 103467985

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-4-cyanophenyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(3-bromo-4-cyanophenyl)piperidin-4-yl]acetamide (CID 107276144) is 2-[1-(3-bromo-4-cyanophenyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(3-bromo-4-cyanophenyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(3-bromo-4-cyanophenyl)piperidin-4-yl]acetamide is N#Cc1ccc(N2CCC(CC(N)=O)CC2)cc1Br.
What is the InChIKey of 2-[1-(3-bromo-4-cyanophenyl)piperidin-4-yl]acetamide?
The InChIKey is VIBXQNNWCJDEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-13-8-12(2-1-11(13)9-16)18-5-3-10(4-6-18)7-14(17)19/h1-2,8,10H,3-7H2,(H2,17,19).
What are the key properties of 2-[1-(3-bromo-4-cyanophenyl)piperidin-4-yl]acetamide?
2-[1-(3-bromo-4-cyanophenyl)piperidin-4-yl]acetamide has a molecular weight of 322.21 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-4-cyanophenyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 107276144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).