methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate

C14H18N2O4 — CID 115584285

IUPACmethyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(C)[nH]c2=O)CC1
InChIInChI=1S/C14H18N2O4/c1-9-3-4-11(12(17)15-9)13(18)16-7-5-10(6-8-16)14(19)20-2/h3-4,10H,5-8H2,1-2H3,(H,15,17)
InChIKeyDUPIBESDRMBBDU-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.71
Rot. Bonds2

About methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate

methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate (PubChem CID 115584285) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
PubChem CID115584285
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(C)[nH]c2=O)CC1
InChIInChI=1S/C14H18N2O4/c1-9-3-4-11(12(17)15-9)13(18)16-7-5-10(6-8-16)14(19)20-2/h3-4,10H,5-8H2,1-2H3,(H,15,17)
InChIKeyDUPIBESDRMBBDU-UHFFFAOYSA-N
XLogP0.71
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxamide
CID 78893022
methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate
CID 115610744
6-methyl-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 86768751
1-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55867890
3-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 103816592
3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 86768773
3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
CID 115923902
methyl 1-(2,3-dihydroxybenzoyl)piperidine-4-carboxylate
CID 114343728
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976185
methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate
CID 43404824
methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate
CID 80719245
methyl 2-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 115679286

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate (CID 115584285) is methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2ccc(C)[nH]c2=O)CC1.
What is the InChIKey of methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is DUPIBESDRMBBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-3-4-11(12(17)15-9)13(18)16-7-5-10(6-8-16)14(19)20-2/h3-4,10H,5-8H2,1-2H3,(H,15,17).
What are the key properties of methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate?
methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 115584285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).