2-(4-bromophenyl)-N-(1-methylpiperidin-4-yl)acetamide

C14H19BrN2O — CID 2712645

IUPAC2-(4-bromophenyl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrN2O/c1-17-8-6-13(7-9-17)16-14(18)10-11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3,(H,16,18)
InChIKeyNLGFPEDAXCBZEP-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.20
Rot. Bonds3

About 2-(4-bromophenyl)-N-(1-methylpiperidin-4-yl)acetamide

2-(4-bromophenyl)-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 2712645) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID2712645
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-(4-bromophenyl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrN2O/c1-17-8-6-13(7-9-17)16-14(18)10-11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3,(H,16,18)
InChIKeyNLGFPEDAXCBZEP-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(1-methylpiperidin-4-yl)acetamide (CID 2712645) is 2-(4-bromophenyl)-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(NC(=O)Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is NLGFPEDAXCBZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-17-8-6-13(7-9-17)16-14(18)10-11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3,(H,16,18).
What are the key properties of 2-(4-bromophenyl)-N-(1-methylpiperidin-4-yl)acetamide?
2-(4-bromophenyl)-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 311.22 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 2712645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).