4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide

C16H21BrN2O2 — CID 32542222

IUPAC4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
SMILESCC(C)C(=O)N1CCC(NC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H21BrN2O2/c1-11(2)16(21)19-9-7-14(8-10-19)18-15(20)12-3-5-13(17)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H,18,20)
InChIKeyVXNZSCMEGZTHPU-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.83
Rot. Bonds3

About 4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide

4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide (PubChem CID 32542222) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
PubChem CID32542222
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
SMILESCC(C)C(=O)N1CCC(NC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H21BrN2O2/c1-11(2)16(21)19-9-7-14(8-10-19)18-15(20)12-3-5-13(17)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H,18,20)
InChIKeyVXNZSCMEGZTHPU-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
CID 108550518
4-bromo-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108550521
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 61213391
ethyl [4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108548646
4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542801
2-hydroxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 108551446
N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-oxidopyridin-1-ium-3-carboxamide
CID 30855451
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-4-bromobenzamide
CID 108550551
N-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide
CID 34000828

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide (CID 32542222) is 4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide is CC(C)C(=O)N1CCC(NC(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
The InChIKey is VXNZSCMEGZTHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-11(2)16(21)19-9-7-14(8-10-19)18-15(20)12-3-5-13(17)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H,18,20).
What are the key properties of 4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide has a molecular weight of 353.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 32542222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).