(4-amino-1-methylpyrrol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone

C13H21N3O — CID 62122802

IUPAC(4-amino-1-methylpyrrol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(N)cn2C)C1C
InChIInChI=1S/C13H21N3O/c1-9-5-4-6-16(10(9)2)13(17)12-7-11(14)8-15(12)3/h7-10H,4-6,14H2,1-3H3
InChIKeyODVLEGJZZUDLJS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.87
Rot. Bonds1

About (4-amino-1-methylpyrrol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone

(4-amino-1-methylpyrrol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone (PubChem CID 62122802) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (4-amino-1-methylpyrrol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrrol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone
PubChem CID62122802
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(4-amino-1-methylpyrrol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(N)cn2C)C1C
InChIInChI=1S/C13H21N3O/c1-9-5-4-6-16(10(9)2)13(17)12-7-11(14)8-15(12)3/h7-10H,4-6,14H2,1-3H3
InChIKeyODVLEGJZZUDLJS-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
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)-(2,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrrol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone (CID 62122802) is (4-amino-1-methylpyrrol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrrol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrrol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cc(N)cn2C)C1C.
What is the InChIKey of (4-amino-1-methylpyrrol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is ODVLEGJZZUDLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-5-4-6-16(10(9)2)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)-(2,3-dimethylpiperidin-1-yl)methanone?
(4-amino-1-methylpyrrol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 1.87, 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)-(2,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62122802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).