cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone

C14H19N3O2 — CID 110803788

IUPACcyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc[nH]c1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C14H19N3O2/c18-13(11-2-1-3-11)16-6-8-17(9-7-16)14(19)12-4-5-15-10-12/h4-5,10-11,15H,1-3,6-9H2
InChIKeyKCUACIXJOUVOMY-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.10
Rot. Bonds2

About cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone

cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 110803788) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID110803788
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namecyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc[nH]c1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C14H19N3O2/c18-13(11-2-1-3-11)16-6-8-17(9-7-16)14(19)12-4-5-15-10-12/h4-5,10-11,15H,1-3,6-9H2
InChIKeyKCUACIXJOUVOMY-UHFFFAOYSA-N
XLogP1.10
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 137336165
azepan-1-yl(1H-pyrrol-3-yl)methanone
CID 110691126
1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid
CID 82472992
(3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
CID 115276942
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815355
4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 103763407
cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110801056
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 110803821
cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 110803719
[4-(adamantane-1-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110809208
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone (CID 110803788) is cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone is O=C(c1cc[nH]c1)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is KCUACIXJOUVOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-13(11-2-1-3-11)16-6-8-17(9-7-16)14(19)12-4-5-15-10-12/h4-5,10-11,15H,1-3,6-9H2.
What are the key properties of cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone?
cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 261.32 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110803788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).