5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide

C10H14N4O2 — CID 175890901

IUPAC5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCNCC2)[nH]1
InChIInChI=1S/C10H14N4O2/c11-9(15)7-1-2-8(13-7)10(16)14-5-3-12-4-6-14/h1-2,12-13H,3-6H2,(H2,11,15)
InChIKeyFUZQBBOPHPPOJD-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.84
Rot. Bonds2

About 5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide

5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide (PubChem CID 175890901) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide
PubChem CID175890901
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCNCC2)[nH]1
InChIInChI=1S/C10H14N4O2/c11-9(15)7-1-2-8(13-7)10(16)14-5-3-12-4-6-14/h1-2,12-13H,3-6H2,(H2,11,15)
InChIKeyFUZQBBOPHPPOJD-UHFFFAOYSA-N
XLogP-0.84
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide (CID 175890901) is 5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide is NC(=O)c1ccc(C(=O)N2CCNCC2)[nH]1.
What is the InChIKey of 5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide?
The InChIKey is FUZQBBOPHPPOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-9(15)7-1-2-8(13-7)10(16)14-5-3-12-4-6-14/h1-2,12-13H,3-6H2,(H2,11,15).
What are the key properties of 5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide?
5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide has a molecular weight of 222.25 g/mol, XLogP of -0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 175890901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).