3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide

C16H21BrFN3O2 — CID 120578179

IUPAC3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H21BrFN3O2/c17-13-9-11(4-5-14(13)18)16(23)21-8-2-1-3-12(21)10-20-15(22)6-7-19/h4-5,9,12H,1-3,6-8,10,19H2,(H,20,22)
InChIKeyWIIJQOMUZVPETE-UHFFFAOYSA-N
MW386.27 g/mol
LogP2.05
Rot. Bonds5

About 3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide (PubChem CID 120578179) has the molecular formula C16H21BrFN3O2 and a molecular weight of 386.27 g/mol. Its IUPAC name is 3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
PubChem CID120578179
Molecular FormulaC16H21BrFN3O2
Molecular Weight386.27 g/mol
Exact Mass385.08
IUPAC Name3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H21BrFN3O2/c17-13-9-11(4-5-14(13)18)16(23)21-8-2-1-3-12(21)10-20-15(22)6-7-19/h4-5,9,12H,1-3,6-8,10,19H2,(H,20,22)
InChIKeyWIIJQOMUZVPETE-UHFFFAOYSA-N
XLogP2.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide 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

3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578567
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
(3-bromo-4-fluorophenyl)-[2-(bromomethyl)piperidin-1-yl]methanone
CID 114020454
3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580275
3-amino-N-[[1-(4-chloro-2-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580015
(3-bromo-4-fluorophenyl)-[2-(chloromethyl)azepan-1-yl]methanone
CID 107956864
3-amino-N-[[1-[3-(difluoromethoxy)benzoyl]piperidin-2-yl]methyl]propanamide
CID 120578293
3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578206
3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580317
3-amino-N-[[1-(3-bromo-2-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579999
N-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide
CID 120580225
3-amino-N-[[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578315

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide (CID 120578179) is 3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide?
The InChIKey is WIIJQOMUZVPETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFN3O2/c17-13-9-11(4-5-14(13)18)16(23)21-8-2-1-3-12(21)10-20-15(22)6-7-19/h4-5,9,12H,1-3,6-8,10,19H2,(H,20,22).
What are the key properties of 3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide has a molecular weight of 386.27 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120578179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).