2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone

C16H20N4O2 — CID 110815904

IUPAC2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1cc[nH]c1)N1CCN(C(=O)Cc2cc[nH]c2)CC1
InChIInChI=1S/C16H20N4O2/c21-15(9-13-1-3-17-11-13)19-5-7-20(8-6-19)16(22)10-14-2-4-18-12-14/h1-4,11-12,17-18H,5-10H2
InChIKeyTUIDWROMZUEJDA-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.80
Rot. Bonds4

About 2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone

2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone (PubChem CID 110815904) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
PubChem CID110815904
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1cc[nH]c1)N1CCN(C(=O)Cc2cc[nH]c2)CC1
InChIInChI=1S/C16H20N4O2/c21-15(9-13-1-3-17-11-13)19-5-7-20(8-6-19)16(22)10-14-2-4-18-12-14/h1-4,11-12,17-18H,5-10H2
InChIKeyTUIDWROMZUEJDA-UHFFFAOYSA-N
XLogP0.80
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769100
1-[4-[2-(1-methylpyrrol-3-yl)acetyl]piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110815895
1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769091
2-(3-fluorophenyl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110804316
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110814857
1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110803186
2-(1H-pyrrol-3-yl)-1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]ethanone
CID 110808247
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110802789
1-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110815070
1-[4-[2-(2-methyl-5-propan-2-ylphenyl)acetyl]piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110815909
1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769174
2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110815910

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone (CID 110815904) is 2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone is O=C(Cc1cc[nH]c1)N1CCN(C(=O)Cc2cc[nH]c2)CC1.
What is the InChIKey of 2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone?
The InChIKey is TUIDWROMZUEJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15(9-13-1-3-17-11-13)19-5-7-20(8-6-19)16(22)10-14-2-4-18-12-14/h1-4,11-12,17-18H,5-10H2.
What are the key properties of 2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone?
2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone has a molecular weight of 300.36 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110815904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).