1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)piperidin-1-yl]ethanone

C14H22N2O — CID 14761785

IUPAC1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@@H]1C#CCN1CCCC1
InChIInChI=1S/C14H22N2O/c1-13(17)16-12-3-2-7-14(16)8-6-11-15-9-4-5-10-15/h14H,2-5,7,9-12H2,1H3/t14-/m1/s1
InChIKeyDSPDJPFEBQTXDO-CQSZACIVSA-N
MW234.34 g/mol
LogP1.49
Rot. Bonds1

About 1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)piperidin-1-yl]ethanone

1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)piperidin-1-yl]ethanone (PubChem CID 14761785) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)piperidin-1-yl]ethanone
PubChem CID14761785
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@@H]1C#CCN1CCCC1
InChIInChI=1S/C14H22N2O/c1-13(17)16-12-3-2-7-14(16)8-6-11-15-9-4-5-10-15/h14H,2-5,7,9-12H2,1H3/t14-/m1/s1
InChIKeyDSPDJPFEBQTXDO-CQSZACIVSA-N
XLogP1.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide
CID 55005
Pca 10
CID 147030
1-[2-(3-Pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-1-yl]ethanone
CID 14502714
1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-1-yl]ethanone
CID 14502715
1-[2-(3-Pyrrolidin-1-ylprop-1-ynyl)azepan-1-yl]ethanone
CID 14761788
1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)azepan-1-yl]ethanone
CID 14761791
3-(1-Acetylpiperidin-2-yl)prop-2-ynyl-trimethylazanium
CID 14761795
3-[(2R)-1-acetylpyrrolidin-2-yl]prop-2-ynyl-trimethylazanium
CID 15629549
N-methyl-N-[(2R)-5-pyrrolidin-1-ylpent-3-yn-2-yl]acetamide
CID 54584893
1-[(2S)-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-1-yl]ethanone
CID 14502717
1-[(2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone
CID 15629539
1-[(2S)-2-(3-pyrrolidin-1-ylprop-1-ynyl)piperidin-1-yl]ethanone
CID 14761787

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)piperidin-1-yl]ethanone (CID 14761785) is 1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)piperidin-1-yl]ethanone is CC(=O)N1CCCC[C@@H]1C#CCN1CCCC1.
What is the InChIKey of 1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)piperidin-1-yl]ethanone?
The InChIKey is DSPDJPFEBQTXDO-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O/c1-13(17)16-12-3-2-7-14(16)8-6-11-15-9-4-5-10-15/h14H,2-5,7,9-12H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)piperidin-1-yl]ethanone?
1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)piperidin-1-yl]ethanone has a molecular weight of 234.34 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 14761785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).