(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone

C11H16ClN3O — CID 82705569

IUPAC(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CNCCN1C(=O)c1cc(Cl)cn1C
InChIInChI=1S/C11H16ClN3O/c1-8-6-13-3-4-15(8)11(16)10-5-9(12)7-14(10)2/h5,7-8,13H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyCARTYCGNDMEGFM-QMMMGPOBSA-N
MW241.72 g/mol
LogP1.11
Rot. Bonds1

About (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone

(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone (PubChem CID 82705569) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
PubChem CID82705569
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CNCCN1C(=O)c1cc(Cl)cn1C
InChIInChI=1S/C11H16ClN3O/c1-8-6-13-3-4-15(8)11(16)10-5-9(12)7-14(10)2/h5,7-8,13H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyCARTYCGNDMEGFM-QMMMGPOBSA-N
XLogP1.11
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-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-chloro-1-methylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119473354
(4,5-dichloro-1-methylpyrrol-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 124571060
(1-methyl-4-nitropyrrol-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705263
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672241
(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472374
(2-hydroxy-4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756335
(2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 106502577
(4-bromo-1-cyclopropylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 62674187
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688807
(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704843

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone (CID 82705569) is (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone is C[C@H]1CNCCN1C(=O)c1cc(Cl)cn1C.
What is the InChIKey of (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The InChIKey is CARTYCGNDMEGFM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-6-13-3-4-15(8)11(16)10-5-9(12)7-14(10)2/h5,7-8,13H,3-4,6H2,1-2H3/t8-/m0/s1.
What are the key properties of (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone?
(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone has a molecular weight of 241.72 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 82705569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).