1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone

C15H24N4O — CID 124502587

IUPAC1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC[C@@H](N)c1ccc(N2CCN(C(C)=O)CC2)nc1C
InChIInChI=1S/C15H24N4O/c1-4-14(16)13-5-6-15(17-11(13)2)19-9-7-18(8-10-19)12(3)20/h5-6,14H,4,7-10,16H2,1-3H3/t14-/m1/s1
InChIKeyOKNNXWGYOOYMHL-CQSZACIVSA-N
MW276.38 g/mol
LogP1.47
Rot. Bonds3

About 1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 124502587) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID124502587
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC[C@@H](N)c1ccc(N2CCN(C(C)=O)CC2)nc1C
InChIInChI=1S/C15H24N4O/c1-4-14(16)13-5-6-15(17-11(13)2)19-9-7-18(8-10-19)12(3)20/h5-6,14H,4,7-10,16H2,1-3H3/t14-/m1/s1
InChIKeyOKNNXWGYOOYMHL-CQSZACIVSA-N
XLogP1.47
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 79020981
1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 102546381
1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 82331726
ethyl 4-(5-bromo-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 103915053
(1R)-1-(2-methyl-6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 124502467
(1S)-1-(2-methyl-6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 124502468
1-(2-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-ol
CID 102546266
4-[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]piperazine-1-carbaldehyde
CID 124502553
1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 124502067
1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]ethanone
CID 83536152
1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 124502071
1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 82331730

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone (CID 124502587) is 1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone is CC[C@@H](N)c1ccc(N2CCN(C(C)=O)CC2)nc1C.
What is the InChIKey of 1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is OKNNXWGYOOYMHL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-14(16)13-5-6-15(17-11(13)2)19-9-7-18(8-10-19)12(3)20/h5-6,14H,4,7-10,16H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 124502587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).