N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide

C19H24N4O — CID 99855098

IUPACN-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide
SMILESCc1cnc(C)c(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1
InChIInChI=1S/C19H24N4O/c1-14-11-20-15(2)18(22-14)23-10-6-7-16(13-23)12-21-19(24)17-8-4-3-5-9-17/h3-5,8-9,11,16H,6-7,10,12-13H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyYLDKIKDFICQRGR-INIZCTEOSA-N
MW324.43 g/mol
LogP2.74
Rot. Bonds4

About N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide

N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide (PubChem CID 99855098) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide
PubChem CID99855098
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide
SMILESCc1cnc(C)c(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1
InChIInChI=1S/C19H24N4O/c1-14-11-20-15(2)18(22-14)23-10-6-7-16(13-23)12-21-19(24)17-8-4-3-5-9-17/h3-5,8-9,11,16H,6-7,10,12-13H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyYLDKIKDFICQRGR-INIZCTEOSA-N
XLogP2.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 39754180
N-[[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]methyl]benzamide
CID 97234608
N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62587609
N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide
CID 72937068
N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide
CID 99614878
N-[[(1S,5S,6R,7R)-3-(3,6-dimethylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155491463
2-[3-[(2,3-dihydro-1-benzofuran-5-carbonylamino)methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 131938732
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45177344
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 119313467
2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide
CID 126808174
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide (CID 99855098) is N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide is Cc1cnc(C)c(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1.
What is the InChIKey of N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide?
The InChIKey is YLDKIKDFICQRGR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-11-20-15(2)18(22-14)23-10-6-7-16(13-23)12-21-19(24)17-8-4-3-5-9-17/h3-5,8-9,11,16H,6-7,10,12-13H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide?
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide has a molecular weight of 324.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 99855098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).