N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide

C14H18BrN3O2 — CID 103754890

IUPACN-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2ccnc(Br)c2)CC1
InChIInChI=1S/C14H18BrN3O2/c1-10(19)17-9-11-3-6-18(7-4-11)14(20)12-2-5-16-13(15)8-12/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,17,19)
InChIKeyZEVOOLKFOHPZIT-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.83
Rot. Bonds3

About N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide

N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide (PubChem CID 103754890) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide
PubChem CID103754890
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC NameN-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2ccnc(Br)c2)CC1
InChIInChI=1S/C14H18BrN3O2/c1-10(19)17-9-11-3-6-18(7-4-11)14(20)12-2-5-16-13(15)8-12/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,17,19)
InChIKeyZEVOOLKFOHPZIT-UHFFFAOYSA-N
XLogP1.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 103956700
(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 103752322
N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 102739429
N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide
CID 112531754
N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide
CID 102735859
(2-bromo-4-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 103754999
N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 103752412
N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide
CID 102736730
N-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-4-yl]methyl]acetamide
CID 51129741
(2-bromo-4-pyridinyl)-(3-methoxyazetidin-1-yl)methanone
CID 130162420
2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 72916320
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736180

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide (CID 103754890) is N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)c2ccnc(Br)c2)CC1.
What is the InChIKey of N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is ZEVOOLKFOHPZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-10(19)17-9-11-3-6-18(7-4-11)14(20)12-2-5-16-13(15)8-12/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,17,19).
What are the key properties of N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 340.22 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 103754890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).