1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone

C18H35N3O — CID 123827594

IUPAC1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone
SMILESCNN(CCCN1CCCCC1)CC1CCCCC1C(C)=O
InChIInChI=1S/C18H35N3O/c1-16(22)18-10-5-4-9-17(18)15-21(19-2)14-8-13-20-11-6-3-7-12-20/h17-19H,3-15H2,1-2H3
InChIKeyBAPIBGJZOZTPDF-UHFFFAOYSA-N
MW309.50 g/mol
LogP2.69
Rot. Bonds8

About 1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone

1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone (PubChem CID 123827594) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone
PubChem CID123827594
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone
SMILESCNN(CCCN1CCCCC1)CC1CCCCC1C(C)=O
InChIInChI=1S/C18H35N3O/c1-16(22)18-10-5-4-9-17(18)15-21(19-2)14-8-13-20-11-6-3-7-12-20/h17-19H,3-15H2,1-2H3
InChIKeyBAPIBGJZOZTPDF-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone?
The IUPAC name of 1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone (CID 123827594) is 1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone.
What is the SMILES notation for 1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone?
The canonical SMILES for 1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone is CNN(CCCN1CCCCC1)CC1CCCCC1C(C)=O.
What is the InChIKey of 1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone?
The InChIKey is BAPIBGJZOZTPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-16(22)18-10-5-4-9-17(18)15-21(19-2)14-8-13-20-11-6-3-7-12-20/h17-19H,3-15H2,1-2H3.
What are the key properties of 1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone?
1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone has a molecular weight of 309.50 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone is sourced from PubChem (CID 123827594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).