[(S)-[5-carbamoyl-4-oxo-1-(2-piperidin-1-ylethyl)-2-pyridinyl]-phenylmethyl] acetate

C22H27N3O4 — CID 164625988

IUPAC[(S)-[5-carbamoyl-4-oxo-1-(2-piperidin-1-ylethyl)-2-pyridinyl]-phenylmethyl] acetate
SMILESCC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(N)=O)cn1CCN1CCCCC1
InChIInChI=1S/C22H27N3O4/c1-16(26)29-21(17-8-4-2-5-9-17)19-14-20(27)18(22(23)28)15-25(19)13-12-24-10-6-3-7-11-24/h2,4-5,8-9,14-15,21H,3,6-7,10-13H2,1H3,(H2,23,28)/t21-/m0/s1
InChIKeyAXZBRNWJTMYIBI-NRFANRHFSA-N
MW397.48 g/mol
LogP2.09
Rot. Bonds7

About [(S)-[5-carbamoyl-4-oxo-1-(2-piperidin-1-ylethyl)-2-pyridinyl]-phenylmethyl] acetate

[(S)-[5-carbamoyl-4-oxo-1-(2-piperidin-1-ylethyl)-2-pyridinyl]-phenylmethyl] acetate (PubChem CID 164625988) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is [(S)-[5-carbamoyl-4-oxo-1-(2-piperidin-1-ylethyl)-2-pyridinyl]-phenylmethyl] acetate.

Molecular Properties

Compound Name[(S)-[5-carbamoyl-4-oxo-1-(2-piperidin-1-ylethyl)-2-pyridinyl]-phenylmethyl] acetate
PubChem CID164625988
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name[(S)-[5-carbamoyl-4-oxo-1-(2-piperidin-1-ylethyl)-2-pyridinyl]-phenylmethyl] acetate
SMILESCC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(N)=O)cn1CCN1CCCCC1
InChIInChI=1S/C22H27N3O4/c1-16(26)29-21(17-8-4-2-5-9-17)19-14-20(27)18(22(23)28)15-25(19)13-12-24-10-6-3-7-11-24/h2,4-5,8-9,14-15,21H,3,6-7,10-13H2,1H3,(H2,23,28)/t21-/m0/s1
InChIKeyAXZBRNWJTMYIBI-NRFANRHFSA-N
XLogP2.09
TPSA94.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(S)-[5-carbamoyl-4-oxo-1-(2-piperidin-1-ylethyl)-2-pyridinyl]-phenylmethyl] acetate with MolForge

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Related Compounds

Berkeleyamide C
CID 24879403
Aspernigrin B
CID 126456438
N-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 164609717
Penipyridone E
CID 132525201
[[1-(2-Hydroxyethyl)-5-(3-methylbutanoylcarbamoyl)-4-oxopyridin-2-yl]-phenylmethyl] acetate
CID 134144377
[(S)-[5-carbamoyl-1-[2-(dimethylamino)ethyl]-4-oxo-2-pyridinyl]-phenylmethyl] acetate
CID 164609242
[(S)-[5-carbamoyl-4-oxo-1-(2-pyrrolidin-1-ylethyl)-2-pyridinyl]-phenylmethyl] acetate
CID 164616483
2-{[2-(4-Fluorophenyl)-4-morpholinyl]methyl}-3,5-dimethyl-4-pyridinol
CID 56862808
1-Methyl-4-(2-phenylmorpholine-4-carbonyl)pyridin-2-one
CID 118740646
[(S)-[5-carbamoyl-1-(2-methoxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate
CID 164617612
[(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] 3-methylbutanoate
CID 164623634
[(S)-(1-benzyl-5-carbamoyl-4-oxo-2-pyridinyl)-phenylmethyl] acetate
CID 164623671

Frequently Asked Questions

What is the IUPAC name of [(S)-[5-carbamoyl-4-oxo-1-(2-piperidin-1-ylethyl)-2-pyridinyl]-phenylmethyl] acetate?
The IUPAC name of [(S)-[5-carbamoyl-4-oxo-1-(2-piperidin-1-ylethyl)-2-pyridinyl]-phenylmethyl] acetate (CID 164625988) is [(S)-[5-carbamoyl-4-oxo-1-(2-piperidin-1-ylethyl)-2-pyridinyl]-phenylmethyl] acetate.
What is the SMILES notation for [(S)-[5-carbamoyl-4-oxo-1-(2-piperidin-1-ylethyl)-2-pyridinyl]-phenylmethyl] acetate?
The canonical SMILES for [(S)-[5-carbamoyl-4-oxo-1-(2-piperidin-1-ylethyl)-2-pyridinyl]-phenylmethyl] acetate is CC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(N)=O)cn1CCN1CCCCC1.
What is the InChIKey of [(S)-[5-carbamoyl-4-oxo-1-(2-piperidin-1-ylethyl)-2-pyridinyl]-phenylmethyl] acetate?
The InChIKey is AXZBRNWJTMYIBI-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-16(26)29-21(17-8-4-2-5-9-17)19-14-20(27)18(22(23)28)15-25(19)13-12-24-10-6-3-7-11-24/h2,4-5,8-9,14-15,21H,3,6-7,10-13H2,1H3,(H2,23,28)/t21-/m0/s1.
What are the key properties of [(S)-[5-carbamoyl-4-oxo-1-(2-piperidin-1-ylethyl)-2-pyridinyl]-phenylmethyl] acetate?
[(S)-[5-carbamoyl-4-oxo-1-(2-piperidin-1-ylethyl)-2-pyridinyl]-phenylmethyl] acetate has a molecular weight of 397.48 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-[5-carbamoyl-4-oxo-1-(2-piperidin-1-ylethyl)-2-pyridinyl]-phenylmethyl] acetate is sourced from PubChem (CID 164625988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).