1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone

C16H26N4O — CID 80632248

IUPAC1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(CNCC(C)C)cn2)CC1
InChIInChI=1S/C16H26N4O/c1-13(2)10-17-11-15-4-5-16(18-12-15)20-8-6-19(7-9-20)14(3)21/h4-5,12-13,17H,6-11H2,1-3H3
InChIKeyLDKDXDVCWLSSNH-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.50
Rot. Bonds5

About 1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 80632248) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID80632248
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(CNCC(C)C)cn2)CC1
InChIInChI=1S/C16H26N4O/c1-13(2)10-17-11-15-4-5-16(18-12-15)20-8-6-19(7-9-20)14(3)21/h4-5,12-13,17H,6-11H2,1-3H3
InChIKeyLDKDXDVCWLSSNH-UHFFFAOYSA-N
XLogP1.50
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62288556
2-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 60777709
1-[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-4-yl]ethanol
CID 106836671
2-methyl-N-[[6-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 63625251
[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol
CID 80629932
1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 80630040
N-[[6-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62281742
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64579644
4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 80635677
2-methyl-N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
CID 66371207
2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119399590

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 80632248) is 1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(CNCC(C)C)cn2)CC1.
What is the InChIKey of 1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is LDKDXDVCWLSSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13(2)10-17-11-15-4-5-16(18-12-15)20-8-6-19(7-9-20)14(3)21/h4-5,12-13,17H,6-11H2,1-3H3.
What are the key properties of 1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 80632248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).