2-[(1R)-cyclopent-2-en-1-yl]-N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide

C18H32N2O2 — CID 98764224

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide
SMILESCCOCCCN1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@H](C)C1
InChIInChI=1S/C18H32N2O2/c1-3-22-12-6-10-20-11-9-17(15(2)14-20)19-18(21)13-16-7-4-5-8-16/h4,7,15-17H,3,5-6,8-14H2,1-2H3,(H,19,21)/t15-,16-,17+/m1/s1
InChIKeyFNKGSQCZFPQCIR-ZACQAIPSSA-N
MW308.47 g/mol
LogP2.60
Rot. Bonds8

About 2-[(1R)-cyclopent-2-en-1-yl]-N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide

2-[(1R)-cyclopent-2-en-1-yl]-N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide (PubChem CID 98764224) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide
PubChem CID98764224
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide
SMILESCCOCCCN1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@H](C)C1
InChIInChI=1S/C18H32N2O2/c1-3-22-12-6-10-20-11-9-17(15(2)14-20)19-18(21)13-16-7-4-5-8-16/h4,7,15-17H,3,5-6,8-14H2,1-2H3,(H,19,21)/t15-,16-,17+/m1/s1
InChIKeyFNKGSQCZFPQCIR-ZACQAIPSSA-N
XLogP2.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide (CID 98764224) is 2-[(1R)-cyclopent-2-en-1-yl]-N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide is CCOCCCN1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@H](C)C1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide?
The InChIKey is FNKGSQCZFPQCIR-ZACQAIPSSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-3-22-12-6-10-20-11-9-17(15(2)14-20)19-18(21)13-16-7-4-5-8-16/h4,7,15-17H,3,5-6,8-14H2,1-2H3,(H,19,21)/t15-,16-,17+/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide has a molecular weight of 308.47 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 98764224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).