methyl 4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxylate

C14H22N2O3 — CID 47392515

IUPACmethyl 4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)CC2C=CCC2)CC1
InChIInChI=1S/C14H22N2O3/c1-19-14(18)16-8-6-12(7-9-16)15-13(17)10-11-4-2-3-5-11/h2,4,11-12H,3,5-10H2,1H3,(H,15,17)
InChIKeyUSEZFJPCTGTMLN-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.69
Rot. Bonds3

About methyl 4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxylate

methyl 4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxylate (PubChem CID 47392515) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxylate
PubChem CID47392515
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)CC2C=CCC2)CC1
InChIInChI=1S/C14H22N2O3/c1-19-14(18)16-8-6-12(7-9-16)15-13(17)10-11-4-2-3-5-11/h2,4,11-12H,3,5-10H2,1H3,(H,15,17)
InChIKeyUSEZFJPCTGTMLN-UHFFFAOYSA-N
XLogP1.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.69
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

ethyl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 39966099
N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide
CID 166228361
methyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 47488724
methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821770
methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821768
methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate
CID 43407202
methyl 4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 86841431
methyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-1-carboxylate
CID 108558897
N-(2-aminocyclopentyl)-2-cyclopent-2-en-1-ylacetamide
CID 63251169
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 167840317
methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate
CID 110821759

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxylate (CID 47392515) is methyl 4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)CC2C=CCC2)CC1.
What is the InChIKey of methyl 4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxylate?
The InChIKey is USEZFJPCTGTMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-19-14(18)16-8-6-12(7-9-16)15-13(17)10-11-4-2-3-5-11/h2,4,11-12H,3,5-10H2,1H3,(H,15,17).
What are the key properties of methyl 4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxylate?
methyl 4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 47392515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).