5-(hexylamino)-1-methylpiperidin-2-one

C12H24N2O — CID 64654704

IUPAC5-(hexylamino)-1-methylpiperidin-2-one
SMILESCCCCCCNC1CCC(=O)N(C)C1
InChIInChI=1S/C12H24N2O/c1-3-4-5-6-9-13-11-7-8-12(15)14(2)10-11/h11,13H,3-10H2,1-2H3
InChIKeyXOWIVZFQJOEKSY-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.78
Rot. Bonds6

About 5-(hexylamino)-1-methylpiperidin-2-one

5-(hexylamino)-1-methylpiperidin-2-one (PubChem CID 64654704) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-(hexylamino)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(hexylamino)-1-methylpiperidin-2-one
PubChem CID64654704
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5-(hexylamino)-1-methylpiperidin-2-one
SMILESCCCCCCNC1CCC(=O)N(C)C1
InChIInChI=1S/C12H24N2O/c1-3-4-5-6-9-13-11-7-8-12(15)14(2)10-11/h11,13H,3-10H2,1-2H3
InChIKeyXOWIVZFQJOEKSY-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(butylamino)-1-methylpiperidin-2-one
CID 64655124
1-methyl-5-(propylamino)piperidin-2-one
CID 64655123
5-(5-hydroxypentylamino)-1-methylpiperidin-2-one
CID 64656153
1-methyl-5-(4-methylpentylamino)piperidin-2-one
CID 83155530
1-methyl-5-(2-pyrrolidin-1-ylethylamino)piperidin-2-one
CID 107911656
1-methyl-5-(2-methylbutylamino)piperidin-2-one
CID 64654315
N,N-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanamide
CID 64656353
1-methyl-5-(2-morpholin-4-ylethylamino)piperidin-2-one
CID 64655351
1-methyl-5-(2-methylprop-2-enylamino)piperidin-2-one
CID 64654537
1-methyl-5-(prop-2-enylamino)piperidin-2-one
CID 64656943
5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one
CID 107262846
(3S)-N-heptyl-1-methylpyrrolidin-3-amine
CID 143197817

Frequently Asked Questions

What is the IUPAC name of 5-(hexylamino)-1-methylpiperidin-2-one?
The IUPAC name of 5-(hexylamino)-1-methylpiperidin-2-one (CID 64654704) is 5-(hexylamino)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-(hexylamino)-1-methylpiperidin-2-one?
The canonical SMILES for 5-(hexylamino)-1-methylpiperidin-2-one is CCCCCCNC1CCC(=O)N(C)C1.
What is the InChIKey of 5-(hexylamino)-1-methylpiperidin-2-one?
The InChIKey is XOWIVZFQJOEKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-4-5-6-9-13-11-7-8-12(15)14(2)10-11/h11,13H,3-10H2,1-2H3.
What are the key properties of 5-(hexylamino)-1-methylpiperidin-2-one?
5-(hexylamino)-1-methylpiperidin-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hexylamino)-1-methylpiperidin-2-one is sourced from PubChem (CID 64654704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).