1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

C17H26N4O — CID 95826460

IUPAC1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@H]1c1cncc(N2CCC(C)CC2)n1
InChIInChI=1S/C17H26N4O/c1-13-6-9-20(10-7-13)17-12-18-11-15(19-17)16-5-3-4-8-21(16)14(2)22/h11-13,16H,3-10H2,1-2H3/t16-/m0/s1
InChIKeyZLWBGCBKCNRVCN-INIZCTEOSA-N
MW302.42 g/mol
LogP2.79
Rot. Bonds2

About 1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95826460) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95826460
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@H]1c1cncc(N2CCC(C)CC2)n1
InChIInChI=1S/C17H26N4O/c1-13-6-9-20(10-7-13)17-12-18-11-15(19-17)16-5-3-4-8-21(16)14(2)22/h11-13,16H,3-10H2,1-2H3/t16-/m0/s1
InChIKeyZLWBGCBKCNRVCN-INIZCTEOSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone
CID 95804809
1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95824949
1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 95838452
1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95826525
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 95826518
2-(4-methylpiperidin-1-yl)-6-pyrrolidin-2-ylpyrazine
CID 110271302
cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 110267761
1-[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 95836171
N-[[6-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110268251
N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 66449329
1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124956770

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95826460) is 1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCC[C@H]1c1cncc(N2CCC(C)CC2)n1.
What is the InChIKey of 1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is ZLWBGCBKCNRVCN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-6-9-20(10-7-13)17-12-18-11-15(19-17)16-5-3-4-8-21(16)14(2)22/h11-13,16H,3-10H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95826460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).