2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide

C13H22N4O — CID 115189236

IUPAC2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
SMILESCC(C(=O)NCCc1cc[nH]c1)N1CCNCC1
InChIInChI=1S/C13H22N4O/c1-11(17-8-6-14-7-9-17)13(18)16-5-3-12-2-4-15-10-12/h2,4,10-11,14-15H,3,5-9H2,1H3,(H,16,18)
InChIKeyKVELOFQJZJXJIV-UHFFFAOYSA-N
MW250.35 g/mol
LogP-0.03
Rot. Bonds5

About 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide

2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide (PubChem CID 115189236) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
PubChem CID115189236
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
SMILESCC(C(=O)NCCc1cc[nH]c1)N1CCNCC1
InChIInChI=1S/C13H22N4O/c1-11(17-8-6-14-7-9-17)13(18)16-5-3-12-2-4-15-10-12/h2,4,10-11,14-15H,3,5-9H2,1H3,(H,16,18)
InChIKeyKVELOFQJZJXJIV-UHFFFAOYSA-N
XLogP-0.03
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
The IUPAC name of 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide (CID 115189236) is 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide is CC(C(=O)NCCc1cc[nH]c1)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
The InChIKey is KVELOFQJZJXJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11(17-8-6-14-7-9-17)13(18)16-5-3-12-2-4-15-10-12/h2,4,10-11,14-15H,3,5-9H2,1H3,(H,16,18).
What are the key properties of 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide has a molecular weight of 250.35 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide is sourced from PubChem (CID 115189236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).