3-(3-methoxypropyl)-2-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxamide

C16H25N3O3 — CID 160525442

IUPAC3-(3-methoxypropyl)-2-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxamide
SMILESCOCCCC1CCCN(C(N)=O)C1c1ccn(C)c(=O)c1
InChIInChI=1S/C16H25N3O3/c1-18-9-7-13(11-14(18)20)15-12(6-4-10-22-2)5-3-8-19(15)16(17)21/h7,9,11-12,15H,3-6,8,10H2,1-2H3,(H2,17,21)
InChIKeyQUVCDXHGJMCUMS-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.64
Rot. Bonds5

About 3-(3-methoxypropyl)-2-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxamide

3-(3-methoxypropyl)-2-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxamide (PubChem CID 160525442) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxamide
PubChem CID160525442
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-(3-methoxypropyl)-2-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxamide
SMILESCOCCCC1CCCN(C(N)=O)C1c1ccn(C)c(=O)c1
InChIInChI=1S/C16H25N3O3/c1-18-9-7-13(11-14(18)20)15-12(6-4-10-22-2)5-3-8-19(15)16(17)21/h7,9,11-12,15H,3-6,8,10H2,1-2H3,(H2,17,21)
InChIKeyQUVCDXHGJMCUMS-UHFFFAOYSA-N
XLogP1.64
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-2-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 3-(3-methoxypropyl)-2-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxamide (CID 160525442) is 3-(3-methoxypropyl)-2-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(3-methoxypropyl)-2-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(3-methoxypropyl)-2-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxamide is COCCCC1CCCN(C(N)=O)C1c1ccn(C)c(=O)c1.
What is the InChIKey of 3-(3-methoxypropyl)-2-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxamide?
The InChIKey is QUVCDXHGJMCUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-18-9-7-13(11-14(18)20)15-12(6-4-10-22-2)5-3-8-19(15)16(17)21/h7,9,11-12,15H,3-6,8,10H2,1-2H3,(H2,17,21).
What are the key properties of 3-(3-methoxypropyl)-2-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxamide?
3-(3-methoxypropyl)-2-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-2-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 160525442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).