(3-aminopiperidin-1-yl)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone

C19H25N3O — CID 119379195

IUPAC(3-aminopiperidin-1-yl)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(N)C2)c(C)n1Cc1ccccc1
InChIInChI=1S/C19H25N3O/c1-14-11-18(19(23)21-10-6-9-17(20)13-21)15(2)22(14)12-16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13,20H2,1-2H3
InChIKeyVIYDAGOBCGDAGM-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.72
Rot. Bonds3

About (3-aminopiperidin-1-yl)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone

(3-aminopiperidin-1-yl)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone (PubChem CID 119379195) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone
PubChem CID119379195
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(3-aminopiperidin-1-yl)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(N)C2)c(C)n1Cc1ccccc1
InChIInChI=1S/C19H25N3O/c1-14-11-18(19(23)21-10-6-9-17(20)13-21)15(2)22(14)12-16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13,20H2,1-2H3
InChIKeyVIYDAGOBCGDAGM-UHFFFAOYSA-N
XLogP2.72
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone (CID 119379195) is (3-aminopiperidin-1-yl)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone is Cc1cc(C(=O)N2CCCC(N)C2)c(C)n1Cc1ccccc1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone?
The InChIKey is VIYDAGOBCGDAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-11-18(19(23)21-10-6-9-17(20)13-21)15(2)22(14)12-16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13,20H2,1-2H3.
What are the key properties of (3-aminopiperidin-1-yl)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone?
(3-aminopiperidin-1-yl)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone has a molecular weight of 311.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone is sourced from PubChem (CID 119379195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).