2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

C20H28N2O — CID 18119482

IUPAC2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CC1C=CCC1)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C20H28N2O/c23-20(14-17-6-2-3-7-17)21-15-18-8-10-19(11-9-18)16-22-12-4-1-5-13-22/h2,6,8-11,17H,1,3-5,7,12-16H2,(H,21,23)
InChIKeyVWPHZAGMRBHOFK-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.64
Rot. Bonds6

About 2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 18119482) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID18119482
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CC1C=CCC1)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C20H28N2O/c23-20(14-17-6-2-3-7-17)21-15-18-8-10-19(11-9-18)16-22-12-4-1-5-13-22/h2,6,8-11,17H,1,3-5,7,12-16H2,(H,21,23)
InChIKeyVWPHZAGMRBHOFK-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 11929369
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544787
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
2-(oxolan-3-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 131902739
2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 46456745
1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
CID 119907519
N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]cyclopropanecarboxamide
CID 39994439
3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 51106744
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 51232557
2-[(1R)-cyclopent-2-en-1-yl]-N-[(4-pyridin-3-ylphenyl)methyl]acetamide
CID 97078512
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941680
2-[(1S)-cyclopent-2-en-1-yl]-N-[[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]acetamide
CID 52511200

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (CID 18119482) is 2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is O=C(CC1C=CCC1)NCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is VWPHZAGMRBHOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c23-20(14-17-6-2-3-7-17)21-15-18-8-10-19(11-9-18)16-22-12-4-1-5-13-22/h2,6,8-11,17H,1,3-5,7,12-16H2,(H,21,23).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 312.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 18119482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).