1-methyl-N-(3-pyrrol-1-ylpropyl)piperidine-3-carboxamide

C14H23N3O — CID 90500533

IUPAC1-methyl-N-(3-pyrrol-1-ylpropyl)piperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCCCn2cccc2)C1
InChIInChI=1S/C14H23N3O/c1-16-8-4-6-13(12-16)14(18)15-7-5-11-17-9-2-3-10-17/h2-3,9-10,13H,4-8,11-12H2,1H3,(H,15,18)
InChIKeyGTUSNOUQFFLMII-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.34
Rot. Bonds5

About 1-methyl-N-(3-pyrrol-1-ylpropyl)piperidine-3-carboxamide

1-methyl-N-(3-pyrrol-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 90500533) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-methyl-N-(3-pyrrol-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-pyrrol-1-ylpropyl)piperidine-3-carboxamide
PubChem CID90500533
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-methyl-N-(3-pyrrol-1-ylpropyl)piperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCCCn2cccc2)C1
InChIInChI=1S/C14H23N3O/c1-16-8-4-6-13(12-16)14(18)15-7-5-11-17-9-2-3-10-17/h2-3,9-10,13H,4-8,11-12H2,1H3,(H,15,18)
InChIKeyGTUSNOUQFFLMII-UHFFFAOYSA-N
XLogP1.34
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-N-(3-pyrrol-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-methyl-N-(3-pyrrol-1-ylpropyl)piperidine-3-carboxamide (CID 90500533) is 1-methyl-N-(3-pyrrol-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-pyrrol-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(3-pyrrol-1-ylpropyl)piperidine-3-carboxamide is CN1CCCC(C(=O)NCCCn2cccc2)C1.
What is the InChIKey of 1-methyl-N-(3-pyrrol-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is GTUSNOUQFFLMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16-8-4-6-13(12-16)14(18)15-7-5-11-17-9-2-3-10-17/h2-3,9-10,13H,4-8,11-12H2,1H3,(H,15,18).
What are the key properties of 1-methyl-N-(3-pyrrol-1-ylpropyl)piperidine-3-carboxamide?
1-methyl-N-(3-pyrrol-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-pyrrol-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 90500533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).