N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide

C17H24N4O3 — CID 39507171

IUPACN-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cccnc2N2CCOCC2)CC1
InChIInChI=1S/C17H24N4O3/c1-18-16(22)13-4-7-21(8-5-13)17(23)14-3-2-6-19-15(14)20-9-11-24-12-10-20/h2-3,6,13H,4-5,7-12H2,1H3,(H,18,22)
InChIKeyDFXYRMFKXUCJAQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.52
Rot. Bonds3

About N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide

N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 39507171) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide
PubChem CID39507171
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cccnc2N2CCOCC2)CC1
InChIInChI=1S/C17H24N4O3/c1-18-16(22)13-4-7-21(8-5-13)17(23)14-3-2-6-19-15(14)20-9-11-24-12-10-20/h2-3,6,13H,4-5,7-12H2,1H3,(H,18,22)
InChIKeyDFXYRMFKXUCJAQ-UHFFFAOYSA-N
XLogP0.52
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide (CID 39507171) is N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)c2cccnc2N2CCOCC2)CC1.
What is the InChIKey of N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is DFXYRMFKXUCJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-18-16(22)13-4-7-21(8-5-13)17(23)14-3-2-6-19-15(14)20-9-11-24-12-10-20/h2-3,6,13H,4-5,7-12H2,1H3,(H,18,22).
What are the key properties of N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide?
N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 39507171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).