5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1H-pyridin-2-one

C14H21N3O3 — CID 79736351

IUPAC5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESNCCCOC1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C14H21N3O3/c15-6-1-9-20-12-4-7-17(8-5-12)14(19)11-2-3-13(18)16-10-11/h2-3,10,12H,1,4-9,15H2,(H,16,18)
InChIKeyLIUKDDBCLRWQFE-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.34
Rot. Bonds5

About 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1H-pyridin-2-one

5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 79736351) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID79736351
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESNCCCOC1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C14H21N3O3/c15-6-1-9-20-12-4-7-17(8-5-12)14(19)11-2-3-13(18)16-10-11/h2-3,10,12H,1,4-9,15H2,(H,16,18)
InChIKeyLIUKDDBCLRWQFE-UHFFFAOYSA-N
XLogP0.34
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1H-pyridin-2-one 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

6-Hydroxy-N-(2-morpholinoethyl)nicotinamide
CID 28826303
(4-Aminopiperidin-1-yl)(6-hydroxypyridin-3-yl)methanone
CID 43556202
6-Hydroxy-N-(3-morpholinopropyl)nicotinamide
CID 43091005
ethyl 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 28826314
5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyridin-2(1H)-one
CID 56875977
1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 74239871
5-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 93993081
4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 121247097
4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 121261854
(2Z,3Z)-4-amino-2-(aminomethylidene)-1-[(4S)-3-fluoro-4-methoxypiperidin-1-yl]hepta-3,6-dien-1-one
CID 139353830
5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95555667
5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95555668

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 79736351) is 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1H-pyridin-2-one is NCCCOC1CCN(C(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is LIUKDDBCLRWQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c15-6-1-9-20-12-4-7-17(8-5-12)14(19)11-2-3-13(18)16-10-11/h2-3,10,12H,1,4-9,15H2,(H,16,18).
What are the key properties of 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1H-pyridin-2-one?
5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 279.34 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 79736351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).