ethane;3-formyl-6-[(1-methylpiperidin-4-yl)amino]hexanamide

C15H31N3O2 — CID 142184380

IUPACethane;3-formyl-6-[(1-methylpiperidin-4-yl)amino]hexanamide
SMILESCC.CN1CCC(NCCCC(C=O)CC(N)=O)CC1
InChIInChI=1S/C13H25N3O2.C2H6/c1-16-7-4-12(5-8-16)15-6-2-3-11(10-17)9-13(14)18;1-2/h10-12,15H,2-9H2,1H3,(H2,14,18);1-2H3
InChIKeyVGACGMUWSOMFMY-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.17
Rot. Bonds8

About ethane;3-formyl-6-[(1-methylpiperidin-4-yl)amino]hexanamide

ethane;3-formyl-6-[(1-methylpiperidin-4-yl)amino]hexanamide (PubChem CID 142184380) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethane;3-formyl-6-[(1-methylpiperidin-4-yl)amino]hexanamide.

Molecular Properties

Compound Nameethane;3-formyl-6-[(1-methylpiperidin-4-yl)amino]hexanamide
PubChem CID142184380
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nameethane;3-formyl-6-[(1-methylpiperidin-4-yl)amino]hexanamide
SMILESCC.CN1CCC(NCCCC(C=O)CC(N)=O)CC1
InChIInChI=1S/C13H25N3O2.C2H6/c1-16-7-4-12(5-8-16)15-6-2-3-11(10-17)9-13(14)18;1-2/h10-12,15H,2-9H2,1H3,(H2,14,18);1-2H3
InChIKeyVGACGMUWSOMFMY-UHFFFAOYSA-N
XLogP1.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-formyl-6-[(1-methylpiperidin-4-yl)amino]hexanamide?
The IUPAC name of ethane;3-formyl-6-[(1-methylpiperidin-4-yl)amino]hexanamide (CID 142184380) is ethane;3-formyl-6-[(1-methylpiperidin-4-yl)amino]hexanamide.
What is the SMILES notation for ethane;3-formyl-6-[(1-methylpiperidin-4-yl)amino]hexanamide?
The canonical SMILES for ethane;3-formyl-6-[(1-methylpiperidin-4-yl)amino]hexanamide is CC.CN1CCC(NCCCC(C=O)CC(N)=O)CC1.
What is the InChIKey of ethane;3-formyl-6-[(1-methylpiperidin-4-yl)amino]hexanamide?
The InChIKey is VGACGMUWSOMFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.C2H6/c1-16-7-4-12(5-8-16)15-6-2-3-11(10-17)9-13(14)18;1-2/h10-12,15H,2-9H2,1H3,(H2,14,18);1-2H3.
What are the key properties of ethane;3-formyl-6-[(1-methylpiperidin-4-yl)amino]hexanamide?
ethane;3-formyl-6-[(1-methylpiperidin-4-yl)amino]hexanamide has a molecular weight of 285.43 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-formyl-6-[(1-methylpiperidin-4-yl)amino]hexanamide is sourced from PubChem (CID 142184380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).