5-(4-methylidenepiperidine-1-carbonyl)-1H-pyridin-2-one

C12H14N2O2 — CID 18715099

IUPAC5-(4-methylidenepiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESC=C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H14N2O2/c1-9-4-6-14(7-5-9)12(16)10-2-3-11(15)13-8-10/h2-3,8H,1,4-7H2,(H,13,15)
InChIKeyZSRNZLDAQQDLRP-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.17
Rot. Bonds1

About 5-(4-methylidenepiperidine-1-carbonyl)-1H-pyridin-2-one

5-(4-methylidenepiperidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 18715099) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(4-methylidenepiperidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-methylidenepiperidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID18715099
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5-(4-methylidenepiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESC=C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H14N2O2/c1-9-4-6-14(7-5-9)12(16)10-2-3-11(15)13-8-10/h2-3,8H,1,4-7H2,(H,13,15)
InChIKeyZSRNZLDAQQDLRP-UHFFFAOYSA-N
XLogP1.17
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-Aminopiperidin-1-yl)(6-hydroxypyridin-3-yl)methanone
CID 43556202
N,N-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 19692588
1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676921
N-({1-[(2E)-2-methylpent-2-en-1-yl]piperidin-4-yl}methyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 56710306
N-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 126810764
5-(azepane-1-carbonyl)-1H-pyridin-2-one
CID 4788761
Nikethamide Impurity 18
CID 9899087
4-(Piperidin-1-ylmethyl)pyridin-2-ol
CID 70413111
5-(azocane-1-carbonyl)-1H-pyridin-2-one
CID 25675266
6-oxo-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyridine-3-carboxamide
CID 47267982
5-(3,5-Dimethylpiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 53522342
1-methyl-N-(1-methylpiperidin-3-yl)-6-oxopyridine-3-carboxamide
CID 121558710

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylidenepiperidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 5-(4-methylidenepiperidine-1-carbonyl)-1H-pyridin-2-one (CID 18715099) is 5-(4-methylidenepiperidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-methylidenepiperidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(4-methylidenepiperidine-1-carbonyl)-1H-pyridin-2-one is C=C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-(4-methylidenepiperidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is ZSRNZLDAQQDLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-4-6-14(7-5-9)12(16)10-2-3-11(15)13-8-10/h2-3,8H,1,4-7H2,(H,13,15).
What are the key properties of 5-(4-methylidenepiperidine-1-carbonyl)-1H-pyridin-2-one?
5-(4-methylidenepiperidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylidenepiperidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 18715099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).