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

C11H17N3O — CID 65416595

IUPAC(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCC1CN(C(=O)c2cccn2C)CCN1
InChIInChI=1S/C11H17N3O/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
InChIKeySYCRKGUPNYOXMY-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.46
Rot. Bonds1

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

(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone (PubChem CID 65416595) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone
PubChem CID65416595
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCC1CN(C(=O)c2cccn2C)CCN1
InChIInChI=1S/C11H17N3O/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
InChIKeySYCRKGUPNYOXMY-UHFFFAOYSA-N
XLogP0.46
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 119580519
[(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
(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
(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792
furan-2-yl-(3-methylpiperazin-1-yl)methanone
CID 64980953
(2,3-dihydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104894013

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of (3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone (CID 65416595) is (3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for (3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for (3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone is CC1CN(C(=O)c2cccn2C)CCN1.
What is the InChIKey of (3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone?
The InChIKey is SYCRKGUPNYOXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/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.
What are the key properties of (3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone?
(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone has a molecular weight of 207.28 g/mol, XLogP of 0.46, 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 is sourced from PubChem (CID 65416595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).