(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride

C11H18ClN3O — CID 119580519

IUPAC(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2cccn2C)CCN1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-9-8-14(7-5-12-9)11(15)10-4-3-6-13(10)2;/h3-4,6,9,12H,5,7-8H2,1-2H3;1H
InChIKeyKLLOKVVQLNLECV-UHFFFAOYSA-N
MW243.74 g/mol
LogP0.88
Rot. Bonds1

About (3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride

(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride (PubChem CID 119580519) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is (3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride
PubChem CID119580519
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2cccn2C)CCN1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-9-8-14(7-5-12-9)11(15)10-4-3-6-13(10)2;/h3-4,6,9,12H,5,7-8H2,1-2H3;1H
InChIKeyKLLOKVVQLNLECV-UHFFFAOYSA-N
XLogP0.88
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 65416595
[(3S)-3-methylpiperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone
CID 124591383
(1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66196928
[(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 81428793
(2,6-dichlorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426391
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 119576231
(3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 79994014
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl-(1-methylpyrrol-2-yl)methanone
CID 102680206
(2-iodophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426406
furan-2-yl-(3-methylpiperazin-1-yl)methanone
CID 64980953
(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride?
The IUPAC name of (3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride (CID 119580519) is (3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride.
What is the SMILES notation for (3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride?
The canonical SMILES for (3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride is CC1CN(C(=O)c2cccn2C)CCN1.Cl.
What is the InChIKey of (3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride?
The InChIKey is KLLOKVVQLNLECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c1-9-8-14(7-5-12-9)11(15)10-4-3-6-13(10)2;/h3-4,6,9,12H,5,7-8H2,1-2H3;1H.
What are the key properties of (3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride?
(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119580519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).