2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

C20H27FN2O — CID 60502323

IUPAC2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H27FN2O/c1-3-10-23(11-4-2)20(24)16-22-12-8-17(9-13-22)14-18-6-5-7-19(21)15-18/h3-7,15,17H,1-2,8-14,16H2
InChIKeySOMSULDZTKNPPQ-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.28
Rot. Bonds8

About 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 60502323) has the molecular formula C20H27FN2O and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID60502323
Molecular FormulaC20H27FN2O
Molecular Weight330.45 g/mol
Exact Mass330.21
IUPAC Name2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H27FN2O/c1-3-10-23(11-4-2)20(24)16-22-12-8-17(9-13-22)14-18-6-5-7-19(21)15-18/h3-7,15,17H,1-2,8-14,16H2
InChIKeySOMSULDZTKNPPQ-UHFFFAOYSA-N
XLogP3.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60502457
1-(azepan-1-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 60502254
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 95648491
3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide
CID 78829539
2-(4-aminopiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 43556819
N-(1,1-dioxothiolan-3-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60502161
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone
CID 119296735
1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530730
1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine
CID 75518320
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
CID 108998987
2,2,2-trifluoro-1-[(3S)-3-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone
CID 90117452

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (CID 60502323) is 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is SOMSULDZTKNPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O/c1-3-10-23(11-4-2)20(24)16-22-12-8-17(9-13-22)14-18-6-5-7-19(21)15-18/h3-7,15,17H,1-2,8-14,16H2.
What are the key properties of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 60502323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).