3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide

C19H22BrN3O — CID 16895865

IUPAC3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(Cc2cccnc2)CC1)c1cccc(Br)c1
InChIInChI=1S/C19H22BrN3O/c20-18-5-1-4-17(11-18)19(24)22-13-15-6-9-23(10-7-15)14-16-3-2-8-21-12-16/h1-5,8,11-12,15H,6-7,9-10,13-14H2,(H,22,24)
InChIKeyZFNFALRUQISMRS-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.49
Rot. Bonds5

About 3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide

3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 16895865) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is 3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
PubChem CID16895865
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(Cc2cccnc2)CC1)c1cccc(Br)c1
InChIInChI=1S/C19H22BrN3O/c20-18-5-1-4-17(11-18)19(24)22-13-15-6-9-23(10-7-15)14-16-3-2-8-21-12-16/h1-5,8,11-12,15H,6-7,9-10,13-14H2,(H,22,24)
InChIKeyZFNFALRUQISMRS-UHFFFAOYSA-N
XLogP3.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895892
N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]naphthalene-2-carboxamide
CID 16895883
5-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895864
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
CID 61383553
2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895885
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 16895855
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide
CID 121108956
5-chloro-2-nitro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895834

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide (CID 16895865) is 3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(Cc2cccnc2)CC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is ZFNFALRUQISMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c20-18-5-1-4-17(11-18)19(24)22-13-15-6-9-23(10-7-15)14-16-3-2-8-21-12-16/h1-5,8,11-12,15H,6-7,9-10,13-14H2,(H,22,24).
What are the key properties of 3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide?
3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 388.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 16895865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).