2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone

C12H18N4O — CID 62255323

IUPAC2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone
SMILESCc1cccnc1NCC(=O)N1CCNCC1
InChIInChI=1S/C12H18N4O/c1-10-3-2-4-14-12(10)15-9-11(17)16-7-5-13-6-8-16/h2-4,13H,5-9H2,1H3,(H,14,15)
InChIKeyWAUDPMVQRDBPSA-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.23
Rot. Bonds3

About 2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone

2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone (PubChem CID 62255323) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone
PubChem CID62255323
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone
SMILESCc1cccnc1NCC(=O)N1CCNCC1
InChIInChI=1S/C12H18N4O/c1-10-3-2-4-14-12(10)15-9-11(17)16-7-5-13-6-8-16/h2-4,13H,5-9H2,1H3,(H,14,15)
InChIKeyWAUDPMVQRDBPSA-UHFFFAOYSA-N
XLogP0.23
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylsulfonyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone
CID 114599217
2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone
CID 107147060
2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
CID 62958222
1-(1,4-diazepan-1-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 107147061
2-[(3-methyl-2-pyridinyl)amino]acetic acid
CID 83826873
1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one
CID 62929883
4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 61404479
1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone
CID 61339914
1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone
CID 115677839
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708758
2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113405876
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone (CID 62255323) is 2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone is Cc1cccnc1NCC(=O)N1CCNCC1.
What is the InChIKey of 2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone?
The InChIKey is WAUDPMVQRDBPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-10-3-2-4-14-12(10)15-9-11(17)16-7-5-13-6-8-16/h2-4,13H,5-9H2,1H3,(H,14,15).
What are the key properties of 2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone?
2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone has a molecular weight of 234.30 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 62255323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).