N-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide

C14H18BrN3O2 — CID 103754574

IUPACN-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)c2cccnc2Br)CC1
InChIInChI=1S/C14H18BrN3O2/c1-2-12(19)17-10-5-8-18(9-6-10)14(20)11-4-3-7-16-13(11)15/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,17,19)
InChIKeyLKBLNDPPBLFPTE-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.97
Rot. Bonds3

About N-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide

N-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide (PubChem CID 103754574) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide
PubChem CID103754574
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC NameN-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)c2cccnc2Br)CC1
InChIInChI=1S/C14H18BrN3O2/c1-2-12(19)17-10-5-8-18(9-6-10)14(20)11-4-3-7-16-13(11)15/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,17,19)
InChIKeyLKBLNDPPBLFPTE-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]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

N-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 106544278
1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 103754069
(2-bromo-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 103752661
N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide
CID 103882520
2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide
CID 103754728
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134
1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 103755201
N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide
CID 108558019
(2-bromo-3-pyridinyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 103756009
[4-(ethylamino)piperidin-1-yl]-quinolin-8-ylmethanone
CID 62851096
N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557809
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide (CID 103754574) is N-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide is CCC(=O)NC1CCN(C(=O)c2cccnc2Br)CC1.
What is the InChIKey of N-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is LKBLNDPPBLFPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-2-12(19)17-10-5-8-18(9-6-10)14(20)11-4-3-7-16-13(11)15/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,17,19).
What are the key properties of N-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide?
N-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 340.22 g/mol, XLogP of 1.97, 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-3-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 103754574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).