N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide

C₁₁H₁₆Cl₂N₄O — CID 141206058

About N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide

N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 141206058) has the molecular formula C₁₁H₁₆Cl₂N₄O and a molecular weight of 291.18 g/mol. Its IUPAC name is N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide
• PubChem CID: 141206058
• Molecular Formula: C₁₁H₁₆Cl₂N₄O
• Molecular Weight: 291.18 g/mol
• Exact Mass: 290.07
• IUPAC Name: N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide
• SMILES: Cc1[nH]c(C(=O)NC2CCNCC2N)c(Cl)c1Cl
• InChI: InChI=1S/C11H16Cl2N4O/c1-5-8(12)9(13)10(16-5)11(18)17-7-2-3-15-4-6(7)14/h6-7,15-16H,2-4,14H2,1H3,(H,17,18)
• InChIKey: VXPVIRSCRRAYDJ-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 82.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	291.18
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide?

The IUPAC name of N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide (CID 141206058) is N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide.

What is the SMILES notation for N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide?

The canonical SMILES for N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide is Cc1[nH]c(C(=O)NC2CCNCC2N)c(Cl)c1Cl.

What is the InChIKey of N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide?

The InChIKey is VXPVIRSCRRAYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N4O/c1-5-8(12)9(13)10(16-5)11(18)17-7-2-3-15-4-6(7)14/h6-7,15-16H,2-4,14H2,1H3,(H,17,18).

What are the key properties of N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide?

N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 291.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 141206058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141206058 — identifiers, structure, computed properties (public domain)

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