azocan-1-yl-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]methanone

C19H30N4O — CID 95829493

IUPACazocan-1-yl-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]methanone
SMILESCN1CCC[C@H](Cc2cnc(C(=O)N3CCCCCCC3)cn2)C1
InChIInChI=1S/C19H30N4O/c1-22-9-7-8-16(15-22)12-17-13-21-18(14-20-17)19(24)23-10-5-3-2-4-6-11-23/h13-14,16H,2-12,15H2,1H3/t16-/m1/s1
InChIKeyURMYALMELUKNRL-MRXNPFEDSA-N
MW330.48 g/mol
LogP2.77
Rot. Bonds3

About azocan-1-yl-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]methanone

azocan-1-yl-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]methanone (PubChem CID 95829493) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is azocan-1-yl-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]methanone
PubChem CID95829493
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Nameazocan-1-yl-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]methanone
SMILESCN1CCC[C@H](Cc2cnc(C(=O)N3CCCCCCC3)cn2)C1
InChIInChI=1S/C19H30N4O/c1-22-9-7-8-16(15-22)12-17-13-21-18(14-20-17)19(24)23-10-5-3-2-4-6-11-23/h13-14,16H,2-12,15H2,1H3/t16-/m1/s1
InChIKeyURMYALMELUKNRL-MRXNPFEDSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95842690
2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine
CID 129407000
[4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyrazin-2-ylmethanone
CID 110112744
2-[(4S)-1-(5-methylpyrazine-2-carbonyl)azepan-4-yl]acetic acid
CID 129489418
2-[1-(5-methylpyrazine-2-carbonyl)azepan-4-yl]acetic acid
CID 120950013
3-[5-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]benzoic acid
CID 110120249
5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685568
[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 124978300
(5-methylpyrazin-2-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845298
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 30082310
[(4S)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124939718
1-[3-[(5-bromopyrazin-2-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 175661845

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]methanone?
The IUPAC name of azocan-1-yl-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]methanone (CID 95829493) is azocan-1-yl-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]methanone.
What is the SMILES notation for azocan-1-yl-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]methanone?
The canonical SMILES for azocan-1-yl-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]methanone is CN1CCC[C@H](Cc2cnc(C(=O)N3CCCCCCC3)cn2)C1.
What is the InChIKey of azocan-1-yl-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]methanone?
The InChIKey is URMYALMELUKNRL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N4O/c1-22-9-7-8-16(15-22)12-17-13-21-18(14-20-17)19(24)23-10-5-3-2-4-6-11-23/h13-14,16H,2-12,15H2,1H3/t16-/m1/s1.
What are the key properties of azocan-1-yl-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]methanone?
azocan-1-yl-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]methanone has a molecular weight of 330.48 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]methanone is sourced from PubChem (CID 95829493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).