[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone

C17H26N4O — CID 11601881

IUPAC[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1cnc(C)c(N2CCC(C(=O)N3CCCCC3)CC2)n1
InChIInChI=1S/C17H26N4O/c1-13-12-18-14(2)16(19-13)20-10-6-15(7-11-20)17(22)21-8-4-3-5-9-21/h12,15H,3-11H2,1-2H3
InChIKeyKQENJJXHIZIVGG-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.32
Rot. Bonds2

About [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone

[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 11601881) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID11601881
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1cnc(C)c(N2CCC(C(=O)N3CCCCC3)CC2)n1
InChIInChI=1S/C17H26N4O/c1-13-12-18-14(2)16(19-13)20-10-6-15(7-11-20)17(22)21-8-4-3-5-9-21/h12,15H,3-11H2,1-2H3
InChIKeyKQENJJXHIZIVGG-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-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
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
(6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96579994
(5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120243

Frequently Asked Questions

What is the IUPAC name of [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone (CID 11601881) is [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone is Cc1cnc(C)c(N2CCC(C(=O)N3CCCCC3)CC2)n1.
What is the InChIKey of [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is KQENJJXHIZIVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-12-18-14(2)16(19-13)20-10-6-15(7-11-20)17(22)21-8-4-3-5-9-21/h12,15H,3-11H2,1-2H3.
What are the key properties of [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 302.42 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 11601881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).