[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone

C15H18N4O2 — CID 110815355

IUPAC[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)c1
InChIInChI=1S/C15H18N4O2/c1-17-5-3-13(11-17)15(21)19-8-6-18(7-9-19)14(20)12-2-4-16-10-12/h2-5,10-11,16H,6-9H2,1H3
InChIKeyNKVCAKYEDYTHSB-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.95
Rot. Bonds2

About [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone

[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 110815355) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID110815355
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)c1
InChIInChI=1S/C15H18N4O2/c1-17-5-3-13(11-17)15(21)19-8-6-18(7-9-19)14(20)12-2-4-16-10-12/h2-5,10-11,16H,6-9H2,1H3
InChIKeyNKVCAKYEDYTHSB-UHFFFAOYSA-N
XLogP0.95
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl(1H-pyrrol-3-yl)methanone
CID 110691126
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803075
[4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814773
(4-fluorophenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808133
cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110801056
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762669
(4-methylphenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808065
cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110803788
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1H-pyrrol-3-yl)methanone
CID 110691096
1H-pyrrol-3-yl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815480
[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815479
1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid
CID 82472992

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone (CID 110815355) is [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone is Cn1ccc(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)c1.
What is the InChIKey of [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is NKVCAKYEDYTHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-17-5-3-13(11-17)15(21)19-8-6-18(7-9-19)14(20)12-2-4-16-10-12/h2-5,10-11,16H,6-9H2,1H3.
What are the key properties of [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 286.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 110815355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).