2-(1H-pyrrol-3-yl)piperazine-1-carboxamide

C9H14N4O — CID 141146321

IUPAC2-(1H-pyrrol-3-yl)piperazine-1-carboxamide
SMILESNC(=O)N1CCNCC1c1cc[nH]c1
InChIInChI=1S/C9H14N4O/c10-9(14)13-4-3-12-6-8(13)7-1-2-11-5-7/h1-2,5,8,11-12H,3-4,6H2,(H2,10,14)
InChIKeyKKWWGTAXDKOCKG-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.04
Rot. Bonds1

About 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide

2-(1H-pyrrol-3-yl)piperazine-1-carboxamide (PubChem CID 141146321) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2-(1H-pyrrol-3-yl)piperazine-1-carboxamide
PubChem CID141146321
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-(1H-pyrrol-3-yl)piperazine-1-carboxamide
SMILESNC(=O)N1CCNCC1c1cc[nH]c1
InChIInChI=1S/C9H14N4O/c10-9(14)13-4-3-12-6-8(13)7-1-2-11-5-7/h1-2,5,8,11-12H,3-4,6H2,(H2,10,14)
InChIKeyKKWWGTAXDKOCKG-UHFFFAOYSA-N
XLogP0.04
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide (CID 141146321) is 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide is NC(=O)N1CCNCC1c1cc[nH]c1.
What is the InChIKey of 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide?
The InChIKey is KKWWGTAXDKOCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-9(14)13-4-3-12-6-8(13)7-1-2-11-5-7/h1-2,5,8,11-12H,3-4,6H2,(H2,10,14).
What are the key properties of 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide?
2-(1H-pyrrol-3-yl)piperazine-1-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.04, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 141146321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).