1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one

C15H24N4O2 — CID 61106835

IUPAC1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCCn1cc(N)cc1C(=O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C15H24N4O2/c1-4-17-10-12(16)9-13(17)15(21)19-7-5-18(6-8-19)14(20)11(2)3/h9-11H,4-8,16H2,1-3H3
InChIKeyXPKRBMFMDISKDF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.03
Rot. Bonds3

About 1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 61106835) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID61106835
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCCn1cc(N)cc1C(=O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C15H24N4O2/c1-4-17-10-12(16)9-13(17)15(21)19-7-5-18(6-8-19)14(20)11(2)3/h9-11H,4-8,16H2,1-3H3
InChIKeyXPKRBMFMDISKDF-UHFFFAOYSA-N
XLogP1.03
TPSA71.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62774779
(4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 43642162
(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate
CID 61314905
(4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43642024
(4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114459636
(4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81459512
1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317446
2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61309440
(4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096346
4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide
CID 93254381
(4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43644030
(4-amino-1-ethylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62347311

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one (CID 61106835) is 1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one is CCn1cc(N)cc1C(=O)N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is XPKRBMFMDISKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-17-10-12(16)9-13(17)15(21)19-7-5-18(6-8-19)14(20)11(2)3/h9-11H,4-8,16H2,1-3H3.
What are the key properties of 1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 61106835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).