(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone

C11H17N3O — CID 110690985

IUPAC(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C11H17N3O/c1-2-13-6-8-14(9-7-13)11(15)10-4-3-5-12-10/h3-5,12H,2,6-9H2,1H3
InChIKeyWXYSMRRPSDGUTQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.79
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone

(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone (PubChem CID 110690985) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
PubChem CID110690985
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C11H17N3O/c1-2-13-6-8-14(9-7-13)11(15)10-4-3-5-12-10/h3-5,12H,2,6-9H2,1H3
InChIKeyWXYSMRRPSDGUTQ-UHFFFAOYSA-N
XLogP0.79
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(4-propylphenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
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(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1H-pyrrol-2-yl)methanone
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[4-[(2-butan-2-ylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone (CID 110690985) is (4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone is CCN1CCN(C(=O)c2ccc[nH]2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is WXYSMRRPSDGUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-13-6-8-14(9-7-13)11(15)10-4-3-5-12-10/h3-5,12H,2,6-9H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone?
(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 207.28 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 110690985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).