1-[4-[benzyl(methyl)amino]butyl]piperidin-2-one

C17H26N2O — CID 134139724

IUPAC1-[4-[benzyl(methyl)amino]butyl]piperidin-2-one
SMILESCN(CCCCN1CCCCC1=O)Cc1ccccc1
InChIInChI=1S/C17H26N2O/c1-18(15-16-9-3-2-4-10-16)12-7-8-14-19-13-6-5-11-17(19)20/h2-4,9-10H,5-8,11-15H2,1H3
InChIKeyKQAXFSKXSVWSJC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.91
Rot. Bonds7

About 1-[4-[benzyl(methyl)amino]butyl]piperidin-2-one

1-[4-[benzyl(methyl)amino]butyl]piperidin-2-one (PubChem CID 134139724) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[4-[benzyl(methyl)amino]butyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-[benzyl(methyl)amino]butyl]piperidin-2-one
PubChem CID134139724
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[4-[benzyl(methyl)amino]butyl]piperidin-2-one
SMILESCN(CCCCN1CCCCC1=O)Cc1ccccc1
InChIInChI=1S/C17H26N2O/c1-18(15-16-9-3-2-4-10-16)12-7-8-14-19-13-6-5-11-17(19)20/h2-4,9-10H,5-8,11-15H2,1H3
InChIKeyKQAXFSKXSVWSJC-UHFFFAOYSA-N
XLogP2.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[benzyl(methyl)amino]butyl]piperidin-2-one?
The IUPAC name of 1-[4-[benzyl(methyl)amino]butyl]piperidin-2-one (CID 134139724) is 1-[4-[benzyl(methyl)amino]butyl]piperidin-2-one.
What is the SMILES notation for 1-[4-[benzyl(methyl)amino]butyl]piperidin-2-one?
The canonical SMILES for 1-[4-[benzyl(methyl)amino]butyl]piperidin-2-one is CN(CCCCN1CCCCC1=O)Cc1ccccc1.
What is the InChIKey of 1-[4-[benzyl(methyl)amino]butyl]piperidin-2-one?
The InChIKey is KQAXFSKXSVWSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-18(15-16-9-3-2-4-10-16)12-7-8-14-19-13-6-5-11-17(19)20/h2-4,9-10H,5-8,11-15H2,1H3.
What are the key properties of 1-[4-[benzyl(methyl)amino]butyl]piperidin-2-one?
1-[4-[benzyl(methyl)amino]butyl]piperidin-2-one has a molecular weight of 274.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[benzyl(methyl)amino]butyl]piperidin-2-one is sourced from PubChem (CID 134139724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).