1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone

C19H30N4O — CID 95204864

IUPAC1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone
SMILESC[C@H](c1ccncc1)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1
InChIInChI=1S/C19H30N4O/c1-16-5-3-4-10-23(16)19(24)15-21-11-13-22(14-12-21)17(2)18-6-8-20-9-7-18/h6-9,16-17H,3-5,10-15H2,1-2H3/t16-,17+/m0/s1
InChIKeyVTOKSMMQUDAVOA-DLBZAZTESA-N
MW330.48 g/mol
LogP2.16
Rot. Bonds4

About 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone

1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone (PubChem CID 95204864) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone
PubChem CID95204864
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone
SMILESC[C@H](c1ccncc1)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1
InChIInChI=1S/C19H30N4O/c1-16-5-3-4-10-23(16)19(24)15-21-11-13-22(14-12-21)17(2)18-6-8-20-9-7-18/h6-9,16-17H,3-5,10-15H2,1-2H3/t16-,17+/m0/s1
InChIKeyVTOKSMMQUDAVOA-DLBZAZTESA-N
XLogP2.16
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone
CID 95353092
2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 133351714
2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 78881160
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
2-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 94824147
2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 8003679
1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone
CID 176809674
1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 110459300
2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 134001219
2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 92987749
1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 164633722
2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 36899945

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone (CID 95204864) is 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone is C[C@H](c1ccncc1)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1.
What is the InChIKey of 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone?
The InChIKey is VTOKSMMQUDAVOA-DLBZAZTESA-N. The full InChI is InChI=1S/C19H30N4O/c1-16-5-3-4-10-23(16)19(24)15-21-11-13-22(14-12-21)17(2)18-6-8-20-9-7-18/h6-9,16-17H,3-5,10-15H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone?
1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone has a molecular weight of 330.48 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95204864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).