2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

C14H24N4O — CID 66401569

IUPAC2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCNCc1cccn1CC(=O)N1CCN(C)CC1
InChIInChI=1S/C14H24N4O/c1-3-15-11-13-5-4-6-18(13)12-14(19)17-9-7-16(2)8-10-17/h4-6,15H,3,7-12H2,1-2H3
InChIKeyPLRLDTXXQPDPQJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.37
Rot. Bonds5

About 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 66401569) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID66401569
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCNCc1cccn1CC(=O)N1CCN(C)CC1
InChIInChI=1S/C14H24N4O/c1-3-15-11-13-5-4-6-18(13)12-14(19)17-9-7-16(2)8-10-17/h4-6,15H,3,7-12H2,1-2H3
InChIKeyPLRLDTXXQPDPQJ-UHFFFAOYSA-N
XLogP0.37
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone
CID 66403516
1-(azepan-1-yl)-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]ethanone
CID 66403739
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402341
2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-1-piperidin-1-ylethanone
CID 66402034
N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66401169
N-[(1-decylpyrrol-2-yl)methyl]ethanamine
CID 66402163
1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66444599
N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402920
2-[2-(ethylaminomethyl)pyrrol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 66402539
N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine
CID 66402346
N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine
CID 66403308
2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66413668

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 66401569) is 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is CCNCc1cccn1CC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is PLRLDTXXQPDPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-15-11-13-5-4-6-18(13)12-14(19)17-9-7-16(2)8-10-17/h4-6,15H,3,7-12H2,1-2H3.
What are the key properties of 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 264.37 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 66401569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).