methyl 1-(cyclopropylmethyl)-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carboxylate

C17H24N2O3 — CID 170948747

IUPACmethyl 1-(cyclopropylmethyl)-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(CN2CCCCC2)cn(CC2CC2)c1=O
InChIInChI=1S/C17H24N2O3/c1-22-17(21)15-9-14(10-18-7-3-2-4-8-18)12-19(16(15)20)11-13-5-6-13/h9,12-13H,2-8,10-11H2,1H3
InChIKeyXQJMJBFRQQUZKR-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.03
Rot. Bonds5

About methyl 1-(cyclopropylmethyl)-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carboxylate

methyl 1-(cyclopropylmethyl)-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carboxylate (PubChem CID 170948747) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 1-(cyclopropylmethyl)-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylmethyl)-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carboxylate
PubChem CID170948747
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl 1-(cyclopropylmethyl)-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(CN2CCCCC2)cn(CC2CC2)c1=O
InChIInChI=1S/C17H24N2O3/c1-22-17(21)15-9-14(10-18-7-3-2-4-8-18)12-19(16(15)20)11-13-5-6-13/h9,12-13H,2-8,10-11H2,1H3
InChIKeyXQJMJBFRQQUZKR-UHFFFAOYSA-N
XLogP2.03
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-2-oxopyridine-3-carboxylate
CID 139329629
methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596
methyl 5-bromo-2-(piperidin-1-ylmethyl)furan-3-carboxylate
CID 134159328
methyl 3-bromo-5-(pyrrolidin-1-ylmethyl)benzoate
CID 146208889
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
methyl 1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate
CID 132585947
methyl 5-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzoate
CID 118695822
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
1-[(3,5-dichlorophenyl)methyl]piperidine;methyl 5-cyclopropyl-2-fluoro-4-methoxybenzoate
CID 144850460
methyl 2-(azepan-1-ylmethyl)furan-3-carboxylate
CID 51075342
methyl 1-benzyl-5-bromo-2-oxopyridine-3-carboxylate
CID 126648415
methyl 2-(4-methoxybutoxy)-4-(pyrrolidin-1-ylmethyl)benzoate
CID 54433321

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylmethyl)-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 1-(cyclopropylmethyl)-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carboxylate (CID 170948747) is methyl 1-(cyclopropylmethyl)-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylmethyl)-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylmethyl)-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carboxylate is COC(=O)c1cc(CN2CCCCC2)cn(CC2CC2)c1=O.
What is the InChIKey of methyl 1-(cyclopropylmethyl)-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carboxylate?
The InChIKey is XQJMJBFRQQUZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-22-17(21)15-9-14(10-18-7-3-2-4-8-18)12-19(16(15)20)11-13-5-6-13/h9,12-13H,2-8,10-11H2,1H3.
What are the key properties of methyl 1-(cyclopropylmethyl)-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carboxylate?
methyl 1-(cyclopropylmethyl)-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylmethyl)-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carboxylate is sourced from PubChem (CID 170948747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).