(4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone

C15H26N4O — CID 62774779

IUPAC(4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)N1CCN(C(=O)c2cc(N)cn2CC)CC1
InChIInChI=1S/C15H26N4O/c1-4-12(3)18-6-8-19(9-7-18)15(20)14-10-13(16)11-17(14)5-2/h10-12H,4-9,16H2,1-3H3
InChIKeySLLSUXJXEYSKTF-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.65
Rot. Bonds4

About (4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone

(4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone (PubChem CID 62774779) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
PubChem CID62774779
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)N1CCN(C(=O)c2cc(N)cn2CC)CC1
InChIInChI=1S/C15H26N4O/c1-4-12(3)18-6-8-19(9-7-18)15(20)14-10-13(16)11-17(14)5-2/h10-12H,4-9,16H2,1-3H3
InChIKeySLLSUXJXEYSKTF-UHFFFAOYSA-N
XLogP1.65
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 61106835
(4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 43642162
(4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43642024
(4-amino-2-fluorophenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62774588
(4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 65357787
(4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114459636
(2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62776991
(3-amino-4-fluorophenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62773614
(4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81459512
2-[4-(4-chloro-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid
CID 154769677
1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317446
2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61309440

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone (CID 62774779) is (4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone is CCC(C)N1CCN(C(=O)c2cc(N)cn2CC)CC1.
What is the InChIKey of (4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone?
The InChIKey is SLLSUXJXEYSKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-12(3)18-6-8-19(9-7-18)15(20)14-10-13(16)11-17(14)5-2/h10-12H,4-9,16H2,1-3H3.
What are the key properties of (4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone?
(4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone has a molecular weight of 278.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 62774779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).