4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one

C14H22N2O — CID 168500448

IUPAC4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(C2CCN(CCC)CC2)C1
InChIInChI=1S/C14H22N2O/c1-3-7-15-8-5-13(6-9-15)16-11-12(4-2)10-14(16)17/h2,12-13H,3,5-11H2,1H3
InChIKeyBHLYLPWCVFWHKO-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.34
Rot. Bonds3

About 4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one

4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one (PubChem CID 168500448) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one
PubChem CID168500448
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(C2CCN(CCC)CC2)C1
InChIInChI=1S/C14H22N2O/c1-3-7-15-8-5-13(6-9-15)16-11-12(4-2)10-14(16)17/h2,12-13H,3,5-11H2,1H3
InChIKeyBHLYLPWCVFWHKO-UHFFFAOYSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.34
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

1-(1-propylpiperidin-4-yl)imidazolidin-2-one
CID 18340097
1-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethynylpyrrolidin-2-one
CID 168500321
1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
CID 60976367
1-(1-butan-2-ylpiperidin-4-yl)-5-oxopyrrolidine-3-carbonitrile
CID 117005653
1-(1-propylpyrrolidin-3-yl)imidazolidin-2-one
CID 131114947
1-(1-ethylpiperidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669798
1-(azepan-3-yl)-4-ethynylpyrrolidin-2-one
CID 168500126
1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696194
4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one
CID 117005880
1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile
CID 126987866
3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
CID 60976530
4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one
CID 168503801

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one (CID 168500448) is 4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one is C#CC1CC(=O)N(C2CCN(CCC)CC2)C1.
What is the InChIKey of 4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one?
The InChIKey is BHLYLPWCVFWHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-7-15-8-5-13(6-9-15)16-11-12(4-2)10-14(16)17/h2,12-13H,3,5-11H2,1H3.
What are the key properties of 4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one?
4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one has a molecular weight of 234.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168500448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).