(4,5-dichloro-1-methylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone

C11H14Cl2N2O2 — CID 43427836

IUPAC(4,5-dichloro-1-methylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCn1c(C(=O)N2CCC(O)CC2)cc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-14-9(6-8(12)10(14)13)11(17)15-4-2-7(16)3-5-15/h6-7,16H,2-5H2,1H3
InChIKeyZCALMJHPWPHEHT-UHFFFAOYSA-N
MW277.15 g/mol
LogP1.93
Rot. Bonds1

About (4,5-dichloro-1-methylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone

(4,5-dichloro-1-methylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 43427836) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is (4,5-dichloro-1-methylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4,5-dichloro-1-methylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID43427836
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name(4,5-dichloro-1-methylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCn1c(C(=O)N2CCC(O)CC2)cc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-14-9(6-8(12)10(14)13)11(17)15-4-2-7(16)3-5-15/h6-7,16H,2-5H2,1H3
InChIKeyZCALMJHPWPHEHT-UHFFFAOYSA-N
XLogP1.93
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261632
(3S)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 78925286
(1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416076
(4,5-dichloro-1-methylpyrrol-2-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95301333
1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363706
1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 43356010
2-(4-chlorophenoxy)-1-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone
CID 55887532
(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934660
2-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 58465719
(4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94526643
(4,5-dichloro-1-methylpyrrol-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 124571060
(4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 47174397

Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-1-methylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (4,5-dichloro-1-methylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 43427836) is (4,5-dichloro-1-methylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (4,5-dichloro-1-methylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (4,5-dichloro-1-methylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone is Cn1c(C(=O)N2CCC(O)CC2)cc(Cl)c1Cl.
What is the InChIKey of (4,5-dichloro-1-methylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is ZCALMJHPWPHEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-14-9(6-8(12)10(14)13)11(17)15-4-2-7(16)3-5-15/h6-7,16H,2-5H2,1H3.
What are the key properties of (4,5-dichloro-1-methylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
(4,5-dichloro-1-methylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 277.15 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-1-methylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43427836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).