methyl 1-[3-(cyclohex-2-en-1-ylamino)butanoyl]piperidine-4-carboxylate

C17H28N2O3 — CID 75502666

IUPACmethyl 1-[3-(cyclohex-2-en-1-ylamino)butanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CC(C)NC2C=CCCC2)CC1
InChIInChI=1S/C17H28N2O3/c1-13(18-15-6-4-3-5-7-15)12-16(20)19-10-8-14(9-11-19)17(21)22-2/h4,6,13-15,18H,3,5,7-12H2,1-2H3
InChIKeyGOPGOSBAJNVMMT-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.87
Rot. Bonds5

About methyl 1-[3-(cyclohex-2-en-1-ylamino)butanoyl]piperidine-4-carboxylate

methyl 1-[3-(cyclohex-2-en-1-ylamino)butanoyl]piperidine-4-carboxylate (PubChem CID 75502666) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is methyl 1-[3-(cyclohex-2-en-1-ylamino)butanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(cyclohex-2-en-1-ylamino)butanoyl]piperidine-4-carboxylate
PubChem CID75502666
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Namemethyl 1-[3-(cyclohex-2-en-1-ylamino)butanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CC(C)NC2C=CCCC2)CC1
InChIInChI=1S/C17H28N2O3/c1-13(18-15-6-4-3-5-7-15)12-16(20)19-10-8-14(9-11-19)17(21)22-2/h4,6,13-15,18H,3,5,7-12H2,1-2H3
InChIKeyGOPGOSBAJNVMMT-UHFFFAOYSA-N
XLogP1.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
CID 47006242
methyl 1-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]piperidine-4-carboxylate
CID 66139277
methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate
CID 79199255
methyl 1-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]piperidine-4-carboxylate
CID 103705549
methyl 1-[N'-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]piperidine-4-carboxylate
CID 119131162
2-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 43091410
methyl (3S)-1-cyclohex-2-en-1-ylpiperidine-3-carboxylate
CID 103714081
methyl 1-[N'-methyl-N-(2-oxo-2-piperidin-1-ylethyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 119131071
N-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine
CID 130481453
methyl 1-heptanoylpiperidine-4-carboxylate
CID 43423316
methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate
CID 64617361

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(cyclohex-2-en-1-ylamino)butanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-(cyclohex-2-en-1-ylamino)butanoyl]piperidine-4-carboxylate (CID 75502666) is methyl 1-[3-(cyclohex-2-en-1-ylamino)butanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-(cyclohex-2-en-1-ylamino)butanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-(cyclohex-2-en-1-ylamino)butanoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CC(C)NC2C=CCCC2)CC1.
What is the InChIKey of methyl 1-[3-(cyclohex-2-en-1-ylamino)butanoyl]piperidine-4-carboxylate?
The InChIKey is GOPGOSBAJNVMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13(18-15-6-4-3-5-7-15)12-16(20)19-10-8-14(9-11-19)17(21)22-2/h4,6,13-15,18H,3,5,7-12H2,1-2H3.
What are the key properties of methyl 1-[3-(cyclohex-2-en-1-ylamino)butanoyl]piperidine-4-carboxylate?
methyl 1-[3-(cyclohex-2-en-1-ylamino)butanoyl]piperidine-4-carboxylate has a molecular weight of 308.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(cyclohex-2-en-1-ylamino)butanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 75502666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).