1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide

C15H23N3O2 — CID 60677071

IUPAC1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide
SMILESCc1cc(C(=O)CN2CCCCC2C(N)=O)c(C)n1C
InChIInChI=1S/C15H23N3O2/c1-10-8-12(11(2)17(10)3)14(19)9-18-7-5-4-6-13(18)15(16)20/h8,13H,4-7,9H2,1-3H3,(H2,16,20)
InChIKeyHCVGSMOOQMKOQY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.16
Rot. Bonds4

About 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide

1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide (PubChem CID 60677071) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide
PubChem CID60677071
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide
SMILESCc1cc(C(=O)CN2CCCCC2C(N)=O)c(C)n1C
InChIInChI=1S/C15H23N3O2/c1-10-8-12(11(2)17(10)3)14(19)9-18-7-5-4-6-13(18)15(16)20/h8,13H,4-7,9H2,1-3H3,(H2,16,20)
InChIKeyHCVGSMOOQMKOQY-UHFFFAOYSA-N
XLogP1.16
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide (CID 60677071) is 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide is Cc1cc(C(=O)CN2CCCCC2C(N)=O)c(C)n1C.
What is the InChIKey of 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is HCVGSMOOQMKOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-8-12(11(2)17(10)3)14(19)9-18-7-5-4-6-13(18)15(16)20/h8,13H,4-7,9H2,1-3H3,(H2,16,20).
What are the key properties of 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide?
1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 60677071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).