(4-chloro-1-methylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

C11H17Cl2N3O — CID 119473354

IUPAC(4-chloro-1-methylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1cc(Cl)cn1C.Cl
InChIInChI=1S/C11H16ClN3O.ClH/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;1H
InChIKeyFPEWUGFWCIAICQ-UHFFFAOYSA-N
MW278.18 g/mol
LogP1.53
Rot. Bonds1

About (4-chloro-1-methylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

(4-chloro-1-methylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119473354) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is (4-chloro-1-methylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-chloro-1-methylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119473354
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC Name(4-chloro-1-methylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1cc(Cl)cn1C.Cl
InChIInChI=1S/C11H16ClN3O.ClH/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;1H
InChIKeyFPEWUGFWCIAICQ-UHFFFAOYSA-N
XLogP1.53
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705569
(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
(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472374
(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672241
(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
3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119470635

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-chloro-1-methylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119473354) is (4-chloro-1-methylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-chloro-1-methylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-chloro-1-methylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is CC1CNCCN1C(=O)c1cc(Cl)cn1C.Cl.
What is the InChIKey of (4-chloro-1-methylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is FPEWUGFWCIAICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O.ClH/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;1H.
What are the key properties of (4-chloro-1-methylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
(4-chloro-1-methylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 278.18 g/mol, XLogP of 1.53, 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)-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119473354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).