(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride

C10H16ClN3O — CID 131160128

IUPAC(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCc1c[nH]cc1C(=O)N1CCNCC1.Cl
InChIInChI=1S/C10H15N3O.ClH/c1-8-6-12-7-9(8)10(14)13-4-2-11-3-5-13;/h6-7,11-12H,2-5H2,1H3;1H
InChIKeyKDRKRPFOOSGRGT-UHFFFAOYSA-N
MW229.71 g/mol
LogP0.79
Rot. Bonds1

About (4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride

(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 131160128) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is (4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID131160128
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCc1c[nH]cc1C(=O)N1CCNCC1.Cl
InChIInChI=1S/C10H15N3O.ClH/c1-8-6-12-7-9(8)10(14)13-4-2-11-3-5-13;/h6-7,11-12H,2-5H2,1H3;1H
InChIKeyKDRKRPFOOSGRGT-UHFFFAOYSA-N
XLogP0.79
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride 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

1,4-diazepan-1-yl-(4-methyl-1H-pyrrol-3-yl)methanone
CID 119414366
piperazin-1-yl-(2-propan-2-ylphenyl)methanone
CID 82510229
(4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119401446
[(3R)-3-aminopyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
CID 128922242
(4-bromo-2-methylphenyl)-piperazin-1-ylmethanone
CID 43629489
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120816623
piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone
CID 82130774
(4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone
CID 82131195
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120806462
(3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 119377405
1,4-diazepan-1-yl-(2,5-dimethylphenyl)methanone
CID 18071803
(4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone
CID 82266519

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride (CID 131160128) is (4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride is Cc1c[nH]cc1C(=O)N1CCNCC1.Cl.
What is the InChIKey of (4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is KDRKRPFOOSGRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.ClH/c1-8-6-12-7-9(8)10(14)13-4-2-11-3-5-13;/h6-7,11-12H,2-5H2,1H3;1H.
What are the key properties of (4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride?
(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 131160128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).