methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate

C14H21NO3 — CID 78919267

IUPACmethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)CC2C=CCC2)C1
InChIInChI=1S/C14H21NO3/c1-18-14(17)12-7-4-8-15(10-12)13(16)9-11-5-2-3-6-11/h2,5,11-12H,3-4,6-10H2,1H3
InChIKeyYEYUIKRWMXTYBV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.75
Rot. Bonds3

About methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate

methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate (PubChem CID 78919267) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate
PubChem CID78919267
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)CC2C=CCC2)C1
InChIInChI=1S/C14H21NO3/c1-18-14(17)12-7-4-8-15(10-12)13(16)9-11-5-2-3-6-11/h2,5,11-12H,3-4,6-10H2,1H3
InChIKeyYEYUIKRWMXTYBV-UHFFFAOYSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate
CID 78919382
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 95218372
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 110465779
2-cyclopent-2-en-1-yl-1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethanone
CID 75870724
methyl 1-(2-cyanoacetyl)piperidine-3-carboxylate
CID 110459560
methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate
CID 115538681
methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate
CID 78919532
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
5-(3-methoxycarbonylpiperidin-1-yl)-5-oxopentanoic acid
CID 115534000
methyl 1-(3-cyclopentylpropanoyl)piperidine-3-carboxylate
CID 78919049

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate (CID 78919267) is methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)CC2C=CCC2)C1.
What is the InChIKey of methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate?
The InChIKey is YEYUIKRWMXTYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-18-14(17)12-7-4-8-15(10-12)13(16)9-11-5-2-3-6-11/h2,5,11-12H,3-4,6-10H2,1H3.
What are the key properties of methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate?
methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate is sourced from PubChem (CID 78919267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).