1-[(3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

C16H23N5O2 — CID 94603474

IUPAC1-[(3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](C(=O)N2CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C16H23N5O2/c1-13(22)21-6-2-3-14(12-21)16(23)20-9-7-19(8-10-20)15-11-17-4-5-18-15/h4-5,11,14H,2-3,6-10,12H2,1H3/t14-/m0/s1
InChIKeyQNKTYEQBTFIYNG-AWEZNQCLSA-N
MW317.39 g/mol
LogP0.38
Rot. Bonds2

About 1-[(3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

1-[(3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 94603474) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID94603474
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-[(3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](C(=O)N2CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C16H23N5O2/c1-13(22)21-6-2-3-14(12-21)16(23)20-9-7-19(8-10-20)15-11-17-4-5-18-15/h4-5,11,14H,2-3,6-10,12H2,1H3/t14-/m0/s1
InChIKeyQNKTYEQBTFIYNG-AWEZNQCLSA-N
XLogP0.38
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[4-(4-Pyrazin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 44292629
N-(1-acetylpiperidin-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 53520646
3-Hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 56720257
Cyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
CID 95042953
Cyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
CID 97393884
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]butan-1-one
CID 97508725
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-cyclopropylethanone
CID 97508726
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-3-methylbutan-1-one
CID 97508727
N-cyclopentyl-3-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 110254125
3-Methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 110269418
N,3-dimethyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 110269424
N,N-dimethyl-3-(2-{1-[(1-methyl-3-piperidinyl)carbonyl]-4-piperidinyl}-1H-imidazol-1-yl)-1-propanamine
CID 72940770

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (CID 94603474) is 1-[(3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](C(=O)N2CCN(c3cnccn3)CC2)C1.
What is the InChIKey of 1-[(3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is QNKTYEQBTFIYNG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-13(22)21-6-2-3-14(12-21)16(23)20-9-7-19(8-10-20)15-11-17-4-5-18-15/h4-5,11,14H,2-3,6-10,12H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
1-[(3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 317.39 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 94603474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).