ethyl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]piperidine-1-carboxylate

C15H24N2O3 — CID 39966099

IUPACethyl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C[C@H]2C=CCC2)CC1
InChIInChI=1S/C15H24N2O3/c1-2-20-15(19)17-9-7-13(8-10-17)16-14(18)11-12-5-3-4-6-12/h3,5,12-13H,2,4,6-11H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyWHGATMHFBPXLRW-LBPRGKRZSA-N
MW280.37 g/mol
LogP2.08
Rot. Bonds4

About ethyl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]piperidine-1-carboxylate (PubChem CID 39966099) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]piperidine-1-carboxylate
PubChem CID39966099
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethyl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C[C@H]2C=CCC2)CC1
InChIInChI=1S/C15H24N2O3/c1-2-20-15(19)17-9-7-13(8-10-17)16-14(18)11-12-5-3-4-6-12/h3,5,12-13H,2,4,6-11H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyWHGATMHFBPXLRW-LBPRGKRZSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

methyl 4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxylate
CID 47392515
ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 167840317
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
ethyl 4-[[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108942733
ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate
CID 108942361
ethyl 4-[[(3Z)-3-amino-3-hydroxyiminopropanoyl]amino]piperidine-1-carboxylate
CID 43333243
ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate
CID 79025288
ethyl 4-(2-bromopropanoylamino)piperidine-1-carboxylate
CID 103693309
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]piperidine-1-carboxylate (CID 39966099) is ethyl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C[C@H]2C=CCC2)CC1.
What is the InChIKey of ethyl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is WHGATMHFBPXLRW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-20-15(19)17-9-7-13(8-10-17)16-14(18)11-12-5-3-4-6-12/h3,5,12-13H,2,4,6-11H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of ethyl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 39966099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).