1-[4-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone

C18H27N5O2 — CID 11595396

IUPAC1-[4-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CCN(c3nc(C)cnc3C)CC2)CC1
InChIInChI=1S/C18H27N5O2/c1-13-12-19-14(2)17(20-13)22-6-4-16(5-7-22)18(25)23-10-8-21(9-11-23)15(3)24/h12,16H,4-11H2,1-3H3
InChIKeyYRFBYSATJHWIHD-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.00
Rot. Bonds2

About 1-[4-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 11595396) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[4-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID11595396
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-[4-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CCN(c3nc(C)cnc3C)CC2)CC1
InChIInChI=1S/C18H27N5O2/c1-13-12-19-14(2)17(20-13)22-6-4-16(5-7-22)18(25)23-10-8-21(9-11-23)15(3)24/h12,16H,4-11H2,1-3H3
InChIKeyYRFBYSATJHWIHD-UHFFFAOYSA-N
XLogP1.00
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-Methylpyrazin-2-yl)piperidine-4-carbaldehyde
CID 18525897
1-[4-[[5-(Pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 95823803
1-[4-[6-(Azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95824988
1-[4-(6-Morpholin-4-ylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 95825045
1-[4-(6-Piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone
CID 95825239
N-[1-(5-piperidin-4-ylpyrazin-2-yl)piperidin-4-yl]acetamide
CID 95825566
[4-[3-(Dimethylamino)pyrazin-2-yl]piperidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone
CID 110258356
(rel-(1R,3S)-3-{[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]carbonyl}cyclopentyl)amine dihydrochloride
CID 56897802
N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide
CID 3231148
N-((1-(3-cyanopyrazin-2-yl)piperidin-4-yl)methyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 76145928
8-(3,6-Dimethyl-2-pyrazinyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70762560
2-cyclohexyl-N-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide
CID 91648232

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone (CID 11595396) is 1-[4-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2CCN(c3nc(C)cnc3C)CC2)CC1.
What is the InChIKey of 1-[4-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is YRFBYSATJHWIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13-12-19-14(2)17(20-13)22-6-4-16(5-7-22)18(25)23-10-8-21(9-11-23)15(3)24/h12,16H,4-11H2,1-3H3.
What are the key properties of 1-[4-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 345.45 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 11595396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).