5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one

C12H18N2O2 — CID 106316310

IUPAC5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one
SMILESCC1=CCCN(C(=O)C2CCC(=O)NC2)C1
InChIInChI=1S/C12H18N2O2/c1-9-3-2-6-14(8-9)12(16)10-4-5-11(15)13-7-10/h3,10H,2,4-8H2,1H3,(H,13,15)
InChIKeyIXOLZAZZXXVRAS-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.69
Rot. Bonds1

About 5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one

5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one (PubChem CID 106316310) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one
PubChem CID106316310
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one
SMILESCC1=CCCN(C(=O)C2CCC(=O)NC2)C1
InChIInChI=1S/C12H18N2O2/c1-9-3-2-6-14(8-9)12(16)10-4-5-11(15)13-7-10/h3,10H,2,4-8H2,1H3,(H,13,15)
InChIKeyIXOLZAZZXXVRAS-UHFFFAOYSA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.69
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

Cambridge id 5424833
CID 5721706
[(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 104930313
[(3S)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113591616
piperidin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113591623
(3-methylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489786
(3-ethylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489906
5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-2-one
CID 115772149
N-[(Z)-4-(5-methylhex-4-enoylamino)but-2-enyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 166391649
N-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide
CID 47043971
1-(2-Cyclohexylideneacetyl)piperidine-3-carboxamide
CID 56819411
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-piperidin-4-ylmethanone
CID 57812371
3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one
CID 123704288

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one?
The IUPAC name of 5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one (CID 106316310) is 5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one is CC1=CCCN(C(=O)C2CCC(=O)NC2)C1.
What is the InChIKey of 5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one?
The InChIKey is IXOLZAZZXXVRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-3-2-6-14(8-9)12(16)10-4-5-11(15)13-7-10/h3,10H,2,4-8H2,1H3,(H,13,15).
What are the key properties of 5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one?
5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 106316310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).