4-ethenyl-1-[1-(3-methoxypropyl)piperidin-4-yl]pyrrolidin-2-one

C15H26N2O2 — CID 168684416

IUPAC4-ethenyl-1-[1-(3-methoxypropyl)piperidin-4-yl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C2CCN(CCCOC)CC2)C1
InChIInChI=1S/C15H26N2O2/c1-3-13-11-15(18)17(12-13)14-5-8-16(9-6-14)7-4-10-19-2/h3,13-14H,1,4-12H2,2H3
InChIKeyBFKIEXRCIFCCSX-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.52
Rot. Bonds6

About 4-ethenyl-1-[1-(3-methoxypropyl)piperidin-4-yl]pyrrolidin-2-one

4-ethenyl-1-[1-(3-methoxypropyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 168684416) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-ethenyl-1-[1-(3-methoxypropyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[1-(3-methoxypropyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID168684416
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-ethenyl-1-[1-(3-methoxypropyl)piperidin-4-yl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C2CCN(CCCOC)CC2)C1
InChIInChI=1S/C15H26N2O2/c1-3-13-11-15(18)17(12-13)14-5-8-16(9-6-14)7-4-10-19-2/h3,13-14H,1,4-12H2,2H3
InChIKeyBFKIEXRCIFCCSX-UHFFFAOYSA-N
XLogP1.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673026
S-[[1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666768
1-(1,1-dioxothian-4-yl)-4-ethenylpyrrolidin-2-one
CID 168685133
4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 168684281
4-ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
CID 168685129
4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one
CID 168685168
1-[3-(azepan-1-yl)propyl]-4-ethenylpyrrolidin-2-one
CID 168685223
1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 71880063
4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 168685224
4-iodo-1-(3-methoxypropyl)piperidine
CID 166738892
1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one
CID 168683832
tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168683488

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[1-(3-methoxypropyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[1-(3-methoxypropyl)piperidin-4-yl]pyrrolidin-2-one (CID 168684416) is 4-ethenyl-1-[1-(3-methoxypropyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[1-(3-methoxypropyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[1-(3-methoxypropyl)piperidin-4-yl]pyrrolidin-2-one is C=CC1CC(=O)N(C2CCN(CCCOC)CC2)C1.
What is the InChIKey of 4-ethenyl-1-[1-(3-methoxypropyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is BFKIEXRCIFCCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-13-11-15(18)17(12-13)14-5-8-16(9-6-14)7-4-10-19-2/h3,13-14H,1,4-12H2,2H3.
What are the key properties of 4-ethenyl-1-[1-(3-methoxypropyl)piperidin-4-yl]pyrrolidin-2-one?
4-ethenyl-1-[1-(3-methoxypropyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 266.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[1-(3-methoxypropyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 168684416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).