[5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C16H24N4O — CID 95842690

IUPAC[5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCN1CCC[C@@H](Cc2cnc(C(=O)N3CCCC3)cn2)C1
InChIInChI=1S/C16H24N4O/c1-19-6-4-5-13(12-19)9-14-10-18-15(11-17-14)16(21)20-7-2-3-8-20/h10-11,13H,2-9,12H2,1H3/t13-/m0/s1
InChIKeyXYHFLLYGORLYLT-ZDUSSCGKSA-N
MW288.39 g/mol
LogP1.60
Rot. Bonds3

About [5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 95842690) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID95842690
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCN1CCC[C@@H](Cc2cnc(C(=O)N3CCCC3)cn2)C1
InChIInChI=1S/C16H24N4O/c1-19-6-4-5-13(12-19)9-14-10-18-15(11-17-14)16(21)20-7-2-3-8-20/h10-11,13H,2-9,12H2,1H3/t13-/m0/s1
InChIKeyXYHFLLYGORLYLT-ZDUSSCGKSA-N
XLogP1.60
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azocan-1-yl-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]methanone
CID 95829493
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
[(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
[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 110255712

Frequently Asked Questions

What is the IUPAC name of [5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 95842690) is [5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is CN1CCC[C@@H](Cc2cnc(C(=O)N3CCCC3)cn2)C1.
What is the InChIKey of [5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XYHFLLYGORLYLT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O/c1-19-6-4-5-13(12-19)9-14-10-18-15(11-17-14)16(21)20-7-2-3-8-20/h10-11,13H,2-9,12H2,1H3/t13-/m0/s1.
What are the key properties of [5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 288.39 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95842690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).