2-amino-1-[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]ethanone

C11H18N4O — CID 82473054

IUPAC2-amino-1-[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(Cc2cc[nH]c2)CC1
InChIInChI=1S/C11H18N4O/c12-7-11(16)15-5-3-14(4-6-15)9-10-1-2-13-8-10/h1-2,8,13H,3-7,9,12H2
InChIKeySOKUGXZBGPPNGI-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.38
Rot. Bonds3

About 2-amino-1-[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]ethanone

2-amino-1-[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 82473054) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-1-[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]ethanone
PubChem CID82473054
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-amino-1-[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(Cc2cc[nH]c2)CC1
InChIInChI=1S/C11H18N4O/c12-7-11(16)15-5-3-14(4-6-15)9-10-1-2-13-8-10/h1-2,8,13H,3-7,9,12H2
InChIKeySOKUGXZBGPPNGI-UHFFFAOYSA-N
XLogP-0.38
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110815904
2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone
CID 143109994
2-amino-1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethanone;dihydrochloride
CID 119838988
1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769100
2-amino-1-[4-[(4-fluoro-3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 82486701
2-amino-1-[4-[1-(1H-pyrrol-3-yl)ethyl]-1,4-diazepan-1-yl]ethanone
CID 82480945
10-[[4-[(4,7,10-tricarboxy-1,4,7,10-tetrazacyclododec-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 101418290
1-[4-[2-(1-methylpyrrol-3-yl)acetyl]piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110815895
1-(4-methylphenyl)-4-(1H-pyrrol-3-ylmethyl)piperazine
CID 19958485
2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 119902970
1-(1H-pyrrol-3-ylmethyl)-1,4-diazepane;2,2,2-trifluoroacetic acid
CID 173118557
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]ethanone (CID 82473054) is 2-amino-1-[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]ethanone is NCC(=O)N1CCN(Cc2cc[nH]c2)CC1.
What is the InChIKey of 2-amino-1-[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is SOKUGXZBGPPNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-7-11(16)15-5-3-14(4-6-15)9-10-1-2-13-8-10/h1-2,8,13H,3-7,9,12H2.
What are the key properties of 2-amino-1-[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]ethanone?
2-amino-1-[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 222.29 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 82473054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).