2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone

C12H18N4O2 — CID 119877691

IUPAC2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCOc1ccnc(N2CCN(C(=O)CN)CC2)c1
InChIInChI=1S/C12H18N4O2/c1-18-10-2-3-14-11(8-10)15-4-6-16(7-5-15)12(17)9-13/h2-3,8H,4-7,9,13H2,1H3
InChIKeyZKZOXBCPJCAZAP-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.30
Rot. Bonds3

About 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone

2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 119877691) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
PubChem CID119877691
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCOc1ccnc(N2CCN(C(=O)CN)CC2)c1
InChIInChI=1S/C12H18N4O2/c1-18-10-2-3-14-11(8-10)15-4-6-16(7-5-15)12(17)9-13/h2-3,8H,4-7,9,13H2,1H3
InChIKeyZKZOXBCPJCAZAP-UHFFFAOYSA-N
XLogP-0.30
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminophenyl)-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 120612990
2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120670166
[(1R,2R)-2-aminocyclopentyl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 124689009
[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 146086584
1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
CID 122144748
[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 154738408
4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019557
[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 146086580
[4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol
CID 110008942
6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133329406
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate
CID 18157810
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one
CID 53186007

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone (CID 119877691) is 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone is COc1ccnc(N2CCN(C(=O)CN)CC2)c1.
What is the InChIKey of 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is ZKZOXBCPJCAZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-18-10-2-3-14-11(8-10)15-4-6-16(7-5-15)12(17)9-13/h2-3,8H,4-7,9,13H2,1H3.
What are the key properties of 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 250.30 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 119877691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).