(4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone

C13H21N3O — CID 43642458

IUPAC(4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1cc(N)cn1C
InChIInChI=1S/C13H21N3O/c1-9-5-4-6-10(2)16(9)13(17)12-7-11(14)8-15(12)3/h7-10H,4-6,14H2,1-3H3
InChIKeyKDGIAZUYLLURKK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.01
Rot. Bonds1

About (4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone

(4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 43642458) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID43642458
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1cc(N)cn1C
InChIInChI=1S/C13H21N3O/c1-9-5-4-6-10(2)16(9)13(17)12-7-11(14)8-15(12)3/h7-10H,4-6,14H2,1-3H3
InChIKeyKDGIAZUYLLURKK-UHFFFAOYSA-N
XLogP2.01
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone (CID 43642458) is (4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone is CC1CCCC(C)N1C(=O)c1cc(N)cn1C.
What is the InChIKey of (4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is KDGIAZUYLLURKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-5-4-6-10(2)16(9)13(17)12-7-11(14)8-15(12)3/h7-10H,4-6,14H2,1-3H3.
What are the key properties of (4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
(4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 43642458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).