N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide

C15H20BrN3O2 — CID 102736730

IUPACN-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2cc(Br)ccc2N)CC1
InChIInChI=1S/C15H20BrN3O2/c1-10(20)18-9-11-4-6-19(7-5-11)15(21)13-8-12(16)2-3-14(13)17/h2-3,8,11H,4-7,9,17H2,1H3,(H,18,20)
InChIKeyFPNCOSXBLZIHGG-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.02
Rot. Bonds3

About N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide

N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide (PubChem CID 102736730) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide
PubChem CID102736730
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC NameN-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2cc(Br)ccc2N)CC1
InChIInChI=1S/C15H20BrN3O2/c1-10(20)18-9-11-4-6-19(7-5-11)15(21)13-8-12(16)2-3-14(13)17/h2-3,8,11H,4-7,9,17H2,1H3,(H,18,20)
InChIKeyFPNCOSXBLZIHGG-UHFFFAOYSA-N
XLogP2.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 102739429
2-[4-(acetamidomethyl)piperidin-1-yl]-4-bromobenzoic acid
CID 102736530
1-(2-amino-5-bromobenzoyl)piperidine-4-carboxylic acid
CID 110451174
N-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide
CID 106544352
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
CID 47042290
N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide
CID 103754890
(4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251111
N-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide
CID 107036683
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736180
N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide
CID 102736286
N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 113223577

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide (CID 102736730) is N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)c2cc(Br)ccc2N)CC1.
What is the InChIKey of N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is FPNCOSXBLZIHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-10(20)18-9-11-4-6-19(7-5-11)15(21)13-8-12(16)2-3-14(13)17/h2-3,8,11H,4-7,9,17H2,1H3,(H,18,20).
What are the key properties of N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 354.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).