N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]but-3-enamide

C15H27N3O — CID 45247182

IUPACN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]but-3-enamide
SMILESC=CCC(=O)NC1CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C15H27N3O/c1-3-5-15(19)16-13-6-4-9-18(12-13)14-7-10-17(2)11-8-14/h3,13-14H,1,4-12H2,2H3,(H,16,19)
InChIKeyLQAFPKHJJWMOGQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.24
Rot. Bonds4

About N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]but-3-enamide

N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]but-3-enamide (PubChem CID 45247182) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]but-3-enamide.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]but-3-enamide
PubChem CID45247182
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]but-3-enamide
SMILESC=CCC(=O)NC1CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C15H27N3O/c1-3-5-15(19)16-13-6-4-9-18(12-13)14-7-10-17(2)11-8-14/h3,13-14H,1,4-12H2,2H3,(H,16,19)
InChIKeyLQAFPKHJJWMOGQ-UHFFFAOYSA-N
XLogP1.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]but-3-enamide?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]but-3-enamide (CID 45247182) is N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]but-3-enamide.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]but-3-enamide?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]but-3-enamide is C=CCC(=O)NC1CCCN(C2CCN(C)CC2)C1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]but-3-enamide?
The InChIKey is LQAFPKHJJWMOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-5-15(19)16-13-6-4-9-18(12-13)14-7-10-17(2)11-8-14/h3,13-14H,1,4-12H2,2H3,(H,16,19).
What are the key properties of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]but-3-enamide?
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]but-3-enamide has a molecular weight of 265.40 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]but-3-enamide is sourced from PubChem (CID 45247182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).