5-[(2R)-2-pyridin-3-ylpiperidin-1-yl]pent-3-ynyl acetate

C17H22N2O2 — CID 7069565

IUPAC5-[(2R)-2-pyridin-3-ylpiperidin-1-yl]pent-3-ynyl acetate
SMILESCC(=O)OCCC#CCN1CCCC[C@@H]1c1cccnc1
InChIInChI=1S/C17H22N2O2/c1-15(20)21-13-6-2-4-11-19-12-5-3-9-17(19)16-8-7-10-18-14-16/h7-8,10,14,17H,3,5-6,9,11-13H2,1H3/t17-/m1/s1
InChIKeySDVHQAJDMWWMRQ-QGZVFWFLSA-N
MW286.38 g/mol
LogP2.57
Rot. Bonds4

About 5-[(2R)-2-pyridin-3-ylpiperidin-1-yl]pent-3-ynyl acetate

5-[(2R)-2-pyridin-3-ylpiperidin-1-yl]pent-3-ynyl acetate (PubChem CID 7069565) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[(2R)-2-pyridin-3-ylpiperidin-1-yl]pent-3-ynyl acetate.

Molecular Properties

Compound Name5-[(2R)-2-pyridin-3-ylpiperidin-1-yl]pent-3-ynyl acetate
PubChem CID7069565
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-[(2R)-2-pyridin-3-ylpiperidin-1-yl]pent-3-ynyl acetate
SMILESCC(=O)OCCC#CCN1CCCC[C@@H]1c1cccnc1
InChIInChI=1S/C17H22N2O2/c1-15(20)21-13-6-2-4-11-19-12-5-3-9-17(19)16-8-7-10-18-14-16/h7-8,10,14,17H,3,5-6,9,11-13H2,1H3/t17-/m1/s1
InChIKeySDVHQAJDMWWMRQ-QGZVFWFLSA-N
XLogP2.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]prop-1-ynyl]cyclohexyl] acetate
CID 714465
[(2S)-2-methyl-1-phenyl-5-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pent-3-yn-2-yl] acetate
CID 7327890
(3S)-2,3-dimethyl-6-[(2R)-2-pyridin-3-ylpiperidin-1-yl]hex-1-en-4-yn-3-ol
CID 11870936
3-[3-ethyl-6-(2-pyridin-3-ylpiperidin-1-yl)hex-4-yn-3-yl]oxypropanenitrile
CID 5306368
(1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol
CID 11871008
1,1-diphenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol
CID 7069904
1,1-diphenyl-4-(2-pyridin-3-ylpiperidin-1-yl)but-2-yn-1-ol
CID 4837486
(4R)-4-methyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]oct-2-yn-4-ol
CID 7069917
(4S)-4-methyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]oct-2-yn-4-ol
CID 11870940
(4R)-4,7-dimethyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]oct-2-yn-4-ol
CID 7070083
(4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol
CID 11870956
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-pyridin-3-ylpiperidin-1-yl]pent-3-ynyl acetate?
The IUPAC name of 5-[(2R)-2-pyridin-3-ylpiperidin-1-yl]pent-3-ynyl acetate (CID 7069565) is 5-[(2R)-2-pyridin-3-ylpiperidin-1-yl]pent-3-ynyl acetate.
What is the SMILES notation for 5-[(2R)-2-pyridin-3-ylpiperidin-1-yl]pent-3-ynyl acetate?
The canonical SMILES for 5-[(2R)-2-pyridin-3-ylpiperidin-1-yl]pent-3-ynyl acetate is CC(=O)OCCC#CCN1CCCC[C@@H]1c1cccnc1.
What is the InChIKey of 5-[(2R)-2-pyridin-3-ylpiperidin-1-yl]pent-3-ynyl acetate?
The InChIKey is SDVHQAJDMWWMRQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-15(20)21-13-6-2-4-11-19-12-5-3-9-17(19)16-8-7-10-18-14-16/h7-8,10,14,17H,3,5-6,9,11-13H2,1H3/t17-/m1/s1.
What are the key properties of 5-[(2R)-2-pyridin-3-ylpiperidin-1-yl]pent-3-ynyl acetate?
5-[(2R)-2-pyridin-3-ylpiperidin-1-yl]pent-3-ynyl acetate has a molecular weight of 286.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-pyridin-3-ylpiperidin-1-yl]pent-3-ynyl acetate is sourced from PubChem (CID 7069565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).