2-[(1-methylpiperidin-4-yl)methyl]-8-oxononanamide

C16H30N2O2 — CID 140528436

IUPAC2-[(1-methylpiperidin-4-yl)methyl]-8-oxononanamide
SMILESCC(=O)CCCCCC(CC1CCN(C)CC1)C(N)=O
InChIInChI=1S/C16H30N2O2/c1-13(19)6-4-3-5-7-15(16(17)20)12-14-8-10-18(2)11-9-14/h14-15H,3-12H2,1-2H3,(H2,17,20)
InChIKeyKZWHFLBUTLTHEY-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.36
Rot. Bonds9

About 2-[(1-methylpiperidin-4-yl)methyl]-8-oxononanamide

2-[(1-methylpiperidin-4-yl)methyl]-8-oxononanamide (PubChem CID 140528436) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-4-yl)methyl]-8-oxononanamide.

Molecular Properties

Compound Name2-[(1-methylpiperidin-4-yl)methyl]-8-oxononanamide
PubChem CID140528436
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[(1-methylpiperidin-4-yl)methyl]-8-oxononanamide
SMILESCC(=O)CCCCCC(CC1CCN(C)CC1)C(N)=O
InChIInChI=1S/C16H30N2O2/c1-13(19)6-4-3-5-7-15(16(17)20)12-14-8-10-18(2)11-9-14/h14-15H,3-12H2,1-2H3,(H2,17,20)
InChIKeyKZWHFLBUTLTHEY-UHFFFAOYSA-N
XLogP2.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide
CID 169229027
5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one
CID 116940794
18,18-dihydroxyoctadecan-2-one
CID 123837048
methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate
CID 112709329
5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one
CID 115236802
7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
CID 155402306
2-propylhexadecanediamide
CID 142717306
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one
CID 63236414
1-(5-oxohexyl)pyrrolidine-2-carboxamide
CID 62050782
4-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-one
CID 115235752
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817
2-(hydroxymethyl)-3-(1-methylpyrrolidin-3-yl)propanoic acid
CID 83817682

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-4-yl)methyl]-8-oxononanamide?
The IUPAC name of 2-[(1-methylpiperidin-4-yl)methyl]-8-oxononanamide (CID 140528436) is 2-[(1-methylpiperidin-4-yl)methyl]-8-oxononanamide.
What is the SMILES notation for 2-[(1-methylpiperidin-4-yl)methyl]-8-oxononanamide?
The canonical SMILES for 2-[(1-methylpiperidin-4-yl)methyl]-8-oxononanamide is CC(=O)CCCCCC(CC1CCN(C)CC1)C(N)=O.
What is the InChIKey of 2-[(1-methylpiperidin-4-yl)methyl]-8-oxononanamide?
The InChIKey is KZWHFLBUTLTHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(19)6-4-3-5-7-15(16(17)20)12-14-8-10-18(2)11-9-14/h14-15H,3-12H2,1-2H3,(H2,17,20).
What are the key properties of 2-[(1-methylpiperidin-4-yl)methyl]-8-oxononanamide?
2-[(1-methylpiperidin-4-yl)methyl]-8-oxononanamide has a molecular weight of 282.43 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-4-yl)methyl]-8-oxononanamide is sourced from PubChem (CID 140528436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).