3-bromo-N-(2-piperidin-1-ylethoxy)benzamide

C14H19BrN2O2 — CID 110417493

IUPAC3-bromo-N-(2-piperidin-1-ylethoxy)benzamide
SMILESO=C(NOCCN1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c15-13-6-4-5-12(11-13)14(18)16-19-10-9-17-7-2-1-3-8-17/h4-6,11H,1-3,7-10H2,(H,16,18)
InChIKeyDXXFRJKCYXKDKY-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.60
Rot. Bonds5

About 3-bromo-N-(2-piperidin-1-ylethoxy)benzamide

3-bromo-N-(2-piperidin-1-ylethoxy)benzamide (PubChem CID 110417493) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-bromo-N-(2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-piperidin-1-ylethoxy)benzamide
PubChem CID110417493
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name3-bromo-N-(2-piperidin-1-ylethoxy)benzamide
SMILESO=C(NOCCN1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c15-13-6-4-5-12(11-13)14(18)16-19-10-9-17-7-2-1-3-8-17/h4-6,11H,1-3,7-10H2,(H,16,18)
InChIKeyDXXFRJKCYXKDKY-UHFFFAOYSA-N
XLogP2.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide
CID 110642888
3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110643022
3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide
CID 110642916
1-[2-(3-bromophenoxy)ethyl]piperidine;oxalic acid
CID 2924023
N-(2-morpholin-4-ylethoxy)benzamide
CID 110642751
(2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate
CID 35661902
2-piperidin-1-ylethyl 4-bromobenzoate
CID 755742
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725191
1-[4-(3-bromophenoxy)butyl]piperidine
CID 2297384
3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
CID 7767931
[2-(azepan-1-yl)-2-oxoethyl] 3-bromobenzoate
CID 23990780

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of 3-bromo-N-(2-piperidin-1-ylethoxy)benzamide (CID 110417493) is 3-bromo-N-(2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for 3-bromo-N-(2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for 3-bromo-N-(2-piperidin-1-ylethoxy)benzamide is O=C(NOCCN1CCCCC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-piperidin-1-ylethoxy)benzamide?
The InChIKey is DXXFRJKCYXKDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-13-6-4-5-12(11-13)14(18)16-19-10-9-17-7-2-1-3-8-17/h4-6,11H,1-3,7-10H2,(H,16,18).
What are the key properties of 3-bromo-N-(2-piperidin-1-ylethoxy)benzamide?
3-bromo-N-(2-piperidin-1-ylethoxy)benzamide has a molecular weight of 327.22 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 110417493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).