(4-chloro-1-methylpyrrol-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

C12H19Cl2N3O — CID 119563732

IUPAC(4-chloro-1-methylpyrrol-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2cc(Cl)cn2C)CC1.Cl
InChIInChI=1S/C12H18ClN3O.ClH/c1-14-10-3-5-16(6-4-10)12(17)11-7-9(13)8-15(11)2;/h7-8,10,14H,3-6H2,1-2H3;1H
InChIKeyHHXZVYHFEDYPEV-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.92
Rot. Bonds2

About (4-chloro-1-methylpyrrol-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

(4-chloro-1-methylpyrrol-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119563732) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is (4-chloro-1-methylpyrrol-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-chloro-1-methylpyrrol-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119563732
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC Name(4-chloro-1-methylpyrrol-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2cc(Cl)cn2C)CC1.Cl
InChIInChI=1S/C12H18ClN3O.ClH/c1-14-10-3-5-16(6-4-10)12(17)11-7-9(13)8-15(11)2;/h7-8,10,14H,3-6H2,1-2H3;1H
InChIKeyHHXZVYHFEDYPEV-UHFFFAOYSA-N
XLogP1.92
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chloro-1-methylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980614
(4-chloro-1-methylpyrrol-2-yl)-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone
CID 137336230
[3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-1-methylpyrrol-2-yl)methanone;hydrochloride
CID 119487002
(4-chloro-1-methylpyrrol-2-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81482980
(4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 113281905
(4-chloro-1-methylpyrrol-2-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259032
(4-chloro-1-methylpyrrol-2-yl)-(4-morpholin-4-ylazepan-1-yl)methanone
CID 122132091
3-[1-(4-chloro-1-methylpyrrole-2-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136539667
2-[acetyl-[(4R)-1-(4-chloro-1-methylpyrrole-2-carbonyl)azepan-4-yl]amino]acetic acid
CID 129333193
(4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422200
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
3-[4-(4-chloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 43522122

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrrol-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-chloro-1-methylpyrrol-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119563732) is (4-chloro-1-methylpyrrol-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-chloro-1-methylpyrrol-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-chloro-1-methylpyrrol-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)c2cc(Cl)cn2C)CC1.Cl.
What is the InChIKey of (4-chloro-1-methylpyrrol-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is HHXZVYHFEDYPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O.ClH/c1-14-10-3-5-16(6-4-10)12(17)11-7-9(13)8-15(11)2;/h7-8,10,14H,3-6H2,1-2H3;1H.
What are the key properties of (4-chloro-1-methylpyrrol-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(4-chloro-1-methylpyrrol-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 292.21 g/mol, XLogP of 1.92, 2 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)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119563732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).