4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one

C15H26N2O — CID 114477895

IUPAC4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one
SMILESC=C(C)CCC(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C15H26N2O/c1-12(2)5-6-15(18)14-4-3-11-17(14)13-7-9-16-10-8-13/h13-14,16H,1,3-11H2,2H3
InChIKeyDWDQKCPCFZTSDM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.13
Rot. Bonds5

About 4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one

4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one (PubChem CID 114477895) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one.

Molecular Properties

Compound Name4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one
PubChem CID114477895
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one
SMILESC=C(C)CCC(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C15H26N2O/c1-12(2)5-6-15(18)14-4-3-11-17(14)13-7-9-16-10-8-13/h13-14,16H,1,3-11H2,2H3
InChIKeyDWDQKCPCFZTSDM-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one
CID 116559668
3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one
CID 116559712
4-methyl-1-piperidin-4-ylpent-4-en-1-one
CID 114477846
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
1-(1-piperidin-4-ylpyrrolidin-2-yl)prop-2-en-1-one
CID 116559700
(4,4-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 62931613
2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 61265351
1-piperidin-4-ylpiperidine-2-carboxylic acid
CID 21098979
N-methoxy-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61254068
N-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61020918
N-(2-ethoxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 54906386
2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
CID 116559754

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one?
The IUPAC name of 4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one (CID 114477895) is 4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one.
What is the SMILES notation for 4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one?
The canonical SMILES for 4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one is C=C(C)CCC(=O)C1CCCN1C1CCNCC1.
What is the InChIKey of 4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one?
The InChIKey is DWDQKCPCFZTSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)5-6-15(18)14-4-3-11-17(14)13-7-9-16-10-8-13/h13-14,16H,1,3-11H2,2H3.
What are the key properties of 4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one?
4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one has a molecular weight of 250.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one is sourced from PubChem (CID 114477895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).