(4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone

C13H22N4O — CID 114542489

IUPAC(4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(N)cn2C)CC(C)N1C
InChIInChI=1S/C13H22N4O/c1-9-6-17(7-10(2)16(9)4)13(18)12-5-11(14)8-15(12)3/h5,8-10H,6-7,14H2,1-4H3
InChIKeyQCNXWBPBBMXTIH-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.77
Rot. Bonds1

About (4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone

(4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 114542489) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID114542489
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(N)cn2C)CC(C)N1C
InChIInChI=1S/C13H22N4O/c1-9-6-17(7-10(2)16(9)4)13(18)12-5-11(14)8-15(12)3/h5,8-10H,6-7,14H2,1-4H3
InChIKeyQCNXWBPBBMXTIH-UHFFFAOYSA-N
XLogP0.77
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43642026
(4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 43642458
(4-amino-1-methylpyrrol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 43643113
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1-methylpyrrol-2-yl)methanone
CID 61108285
(4-amino-1-methylpyrrol-2-yl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63150471
1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 61110812
N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 61110247
(4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79187908
(4-amino-1-methylpyrrol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122802
1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one
CID 131496462
(4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 43642494
(5-amino-1-benzofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114542490

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 114542489) is (4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cc(N)cn2C)CC(C)N1C.
What is the InChIKey of (4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is QCNXWBPBBMXTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-6-17(7-10(2)16(9)4)13(18)12-5-11(14)8-15(12)3/h5,8-10H,6-7,14H2,1-4H3.
What are the key properties of (4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
(4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 114542489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).