3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide

C19H28N4O2 — CID 110271533

IUPAC3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide
SMILESCC(=O)N1CCCC(Cc2nccnc2C(=O)NC2CCCCC2)C1
InChIInChI=1S/C19H28N4O2/c1-14(24)23-11-5-6-15(13-23)12-17-18(21-10-9-20-17)19(25)22-16-7-3-2-4-8-16/h9-10,15-16H,2-8,11-13H2,1H3,(H,22,25)
InChIKeyXRTLELGYHOPKQL-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.34
Rot. Bonds4

About 3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide

3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide (PubChem CID 110271533) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide
PubChem CID110271533
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide
SMILESCC(=O)N1CCCC(Cc2nccnc2C(=O)NC2CCCCC2)C1
InChIInChI=1S/C19H28N4O2/c1-14(24)23-11-5-6-15(13-23)12-17-18(21-10-9-20-17)19(25)22-16-7-3-2-4-8-16/h9-10,15-16H,2-8,11-13H2,1H3,(H,22,25)
InChIKeyXRTLELGYHOPKQL-UHFFFAOYSA-N
XLogP2.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide
CID 110257660
3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide
CID 127248108
6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide
CID 110271581
1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125023202
1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124961929
3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid
CID 167995771
1-[3-[[3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110100485
1-[(3R)-3-[[3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124961794
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124987285
4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109204747
1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124961591

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide?
The IUPAC name of 3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide (CID 110271533) is 3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide.
What is the SMILES notation for 3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide?
The canonical SMILES for 3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide is CC(=O)N1CCCC(Cc2nccnc2C(=O)NC2CCCCC2)C1.
What is the InChIKey of 3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide?
The InChIKey is XRTLELGYHOPKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(24)23-11-5-6-15(13-23)12-17-18(21-10-9-20-17)19(25)22-16-7-3-2-4-8-16/h9-10,15-16H,2-8,11-13H2,1H3,(H,22,25).
What are the key properties of 3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide?
3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide is sourced from PubChem (CID 110271533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).