3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide

C15H21BrN2O — CID 61383553

IUPAC3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
SMILESCCN1CCC(CNC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H21BrN2O/c1-2-18-8-6-12(7-9-18)11-17-15(19)13-4-3-5-14(16)10-13/h3-5,10,12H,2,6-9,11H2,1H3,(H,17,19)
InChIKeyVZYLUNAODMFXMB-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.91
Rot. Bonds4

About 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide

3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide (PubChem CID 61383553) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
PubChem CID61383553
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
SMILESCCN1CCC(CNC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H21BrN2O/c1-2-18-8-6-12(7-9-18)11-17-15(19)13-4-3-5-14(16)10-13/h3-5,10,12H,2,6-9,11H2,1H3,(H,17,19)
InChIKeyVZYLUNAODMFXMB-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 94184057
3-bromo-N-(thian-4-ylmethyl)benzamide
CID 115625137
3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895865
3-bromo-N-[[1-[2-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)amino]ethyl]piperidin-4-yl]methyl]benzamide
CID 44540324
N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103956695
3-bromo-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935231
6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 103916767
3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 54927964
3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 119645286
4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide
CID 103872708
3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide
CID 121108956
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61242484

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide (CID 61383553) is 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide is CCN1CCC(CNC(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide?
The InChIKey is VZYLUNAODMFXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-2-18-8-6-12(7-9-18)11-17-15(19)13-4-3-5-14(16)10-13/h3-5,10,12H,2,6-9,11H2,1H3,(H,17,19).
What are the key properties of 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide?
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide has a molecular weight of 325.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 61383553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).