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

C14H22N4O — CID 39754180

IUPACN-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(c2nc(C)cnc2C)C1
InChIInChI=1S/C14H22N4O/c1-10-7-15-11(2)14(17-10)18-6-4-5-13(9-18)8-16-12(3)19/h7,13H,4-6,8-9H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyFCTTVMMAEHNYKC-ZDUSSCGKSA-N
MW262.36 g/mol
LogP1.45
Rot. Bonds3

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

N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide (PubChem CID 39754180) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide
PubChem CID39754180
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(c2nc(C)cnc2C)C1
InChIInChI=1S/C14H22N4O/c1-10-7-15-11(2)14(17-10)18-6-4-5-13(9-18)8-16-12(3)19/h7,13H,4-6,8-9H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyFCTTVMMAEHNYKC-ZDUSSCGKSA-N
XLogP1.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide (CID 39754180) is N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide is CC(=O)NC[C@@H]1CCCN(c2nc(C)cnc2C)C1.
What is the InChIKey of N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide?
The InChIKey is FCTTVMMAEHNYKC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-7-15-11(2)14(17-10)18-6-4-5-13(9-18)8-16-12(3)19/h7,13H,4-6,8-9H2,1-3H3,(H,16,19)/t13-/m0/s1.
What are the key properties of N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide?
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide has a molecular weight of 262.36 g/mol, XLogP of 1.45, 3 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]acetamide is sourced from PubChem (CID 39754180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).