1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide

C15H25N3O — CID 72932760

IUPAC1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
SMILESCC(C)N1CCCC(C(=O)NCCn2cccc2)C1
InChIInChI=1S/C15H25N3O/c1-13(2)18-10-5-6-14(12-18)15(19)16-7-11-17-8-3-4-9-17/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,16,19)
InChIKeyIQMYKLVQWOYBPY-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.72
Rot. Bonds5

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

1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide (PubChem CID 72932760) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
PubChem CID72932760
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
SMILESCC(C)N1CCCC(C(=O)NCCn2cccc2)C1
InChIInChI=1S/C15H25N3O/c1-13(2)18-10-5-6-14(12-18)15(19)16-7-11-17-8-3-4-9-17/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,16,19)
InChIKeyIQMYKLVQWOYBPY-UHFFFAOYSA-N
XLogP1.72
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide (CID 72932760) is 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide is CC(C)N1CCCC(C(=O)NCCn2cccc2)C1.
What is the InChIKey of 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is IQMYKLVQWOYBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(2)18-10-5-6-14(12-18)15(19)16-7-11-17-8-3-4-9-17/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,16,19).
What are the key properties of 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 72932760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).