1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide

C15H23N3O2 — CID 72859231

IUPAC1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NCCn2cccc2)C1
InChIInChI=1S/C15H23N3O2/c1-2-14(19)18-10-5-6-13(12-18)15(20)16-7-11-17-8-3-4-9-17/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,16,20)
InChIKeySHRSGYUIKITEGE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.25
Rot. Bonds5

About 1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide

1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide (PubChem CID 72859231) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
PubChem CID72859231
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NCCn2cccc2)C1
InChIInChI=1S/C15H23N3O2/c1-2-14(19)18-10-5-6-13(12-18)15(20)16-7-11-17-8-3-4-9-17/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,16,20)
InChIKeySHRSGYUIKITEGE-UHFFFAOYSA-N
XLogP1.25
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide (CID 72859231) is 1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)NCCn2cccc2)C1.
What is the InChIKey of 1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is SHRSGYUIKITEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-14(19)18-10-5-6-13(12-18)15(20)16-7-11-17-8-3-4-9-17/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,16,20).
What are the key properties of 1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 72859231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).