methyl (E)-4-[(1-cyclopentyl-6-oxopiperidine-3-carbonyl)amino]but-2-enoate

C16H24N2O4 — CID 118667821

IUPACmethyl (E)-4-[(1-cyclopentyl-6-oxopiperidine-3-carbonyl)amino]but-2-enoate
SMILESCOC(=O)/C=C/CNC(=O)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C16H24N2O4/c1-22-15(20)7-4-10-17-16(21)12-8-9-14(19)18(11-12)13-5-2-3-6-13/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,17,21)/b7-4+
InChIKeyZNUYFUJYQPHDDQ-QPJJXVBHSA-N
MW308.38 g/mol
LogP1.01
Rot. Bonds5

About methyl (E)-4-[(1-cyclopentyl-6-oxopiperidine-3-carbonyl)amino]but-2-enoate

methyl (E)-4-[(1-cyclopentyl-6-oxopiperidine-3-carbonyl)amino]but-2-enoate (PubChem CID 118667821) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl (E)-4-[(1-cyclopentyl-6-oxopiperidine-3-carbonyl)amino]but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-[(1-cyclopentyl-6-oxopiperidine-3-carbonyl)amino]but-2-enoate
PubChem CID118667821
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Namemethyl (E)-4-[(1-cyclopentyl-6-oxopiperidine-3-carbonyl)amino]but-2-enoate
SMILESCOC(=O)/C=C/CNC(=O)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C16H24N2O4/c1-22-15(20)7-4-10-17-16(21)12-8-9-14(19)18(11-12)13-5-2-3-6-13/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,17,21)/b7-4+
InChIKeyZNUYFUJYQPHDDQ-QPJJXVBHSA-N
XLogP1.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-4-[(1-cyclopentyl-6-oxopiperidine-3-carbonyl)amino]but-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (E)-4-[[1-(3-methylbutanoyl)piperidine-4-carbonyl]amino]but-2-enoate
CID 90675744
methyl (E)-4-[[(2R)-2-(acetamidomethyl)-4-methylpentanoyl]amino]but-2-enoate
CID 90675751
Methyl (E)-4-oxo-4-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]but-2-enoate
CID 146099473
methyl (E)-4-[(1-acetylpiperidine-3-carbonyl)amino]but-2-enoate
CID 118667824
methyl (E)-4-[(1-methylpiperidine-3-carbonyl)amino]but-2-enoate
CID 118667850
methyl (E)-4-[[2-(acetamidomethyl)-4-methylpentanoyl]amino]but-2-enoate
CID 135137858
methyl (E)-4-[[(3S)-1-[(2E,4Z)-2-methylhexa-2,4-dienoyl]piperidine-3-carbonyl]amino]but-2-enoate
CID 155371268
methyl (E)-5-[[(3S)-1-[(2E,4Z)-2-ethenylhexa-2,4-dienoyl]piperidine-3-carbonyl]amino]pent-2-enoate
CID 155371296
methyl (E)-4-[[(3S)-1-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]piperidine-3-carbonyl]amino]but-2-enoate
CID 156560317
methyl (E)-5-[[(3S)-1-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]piperidine-3-carbonyl]amino]pent-2-enoate
CID 156560514
ethyl (E)-4-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]but-2-enoate
CID 80549048
methyl (Z)-2-methyl-4-[3-(methylcarbamoyl)piperidin-1-yl]but-2-enoate
CID 113249834

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[(1-cyclopentyl-6-oxopiperidine-3-carbonyl)amino]but-2-enoate?
The IUPAC name of methyl (E)-4-[(1-cyclopentyl-6-oxopiperidine-3-carbonyl)amino]but-2-enoate (CID 118667821) is methyl (E)-4-[(1-cyclopentyl-6-oxopiperidine-3-carbonyl)amino]but-2-enoate.
What is the SMILES notation for methyl (E)-4-[(1-cyclopentyl-6-oxopiperidine-3-carbonyl)amino]but-2-enoate?
The canonical SMILES for methyl (E)-4-[(1-cyclopentyl-6-oxopiperidine-3-carbonyl)amino]but-2-enoate is COC(=O)/C=C/CNC(=O)C1CCC(=O)N(C2CCCC2)C1.
What is the InChIKey of methyl (E)-4-[(1-cyclopentyl-6-oxopiperidine-3-carbonyl)amino]but-2-enoate?
The InChIKey is ZNUYFUJYQPHDDQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-22-15(20)7-4-10-17-16(21)12-8-9-14(19)18(11-12)13-5-2-3-6-13/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,17,21)/b7-4+.
What are the key properties of methyl (E)-4-[(1-cyclopentyl-6-oxopiperidine-3-carbonyl)amino]but-2-enoate?
methyl (E)-4-[(1-cyclopentyl-6-oxopiperidine-3-carbonyl)amino]but-2-enoate has a molecular weight of 308.38 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[(1-cyclopentyl-6-oxopiperidine-3-carbonyl)amino]but-2-enoate is sourced from PubChem (CID 118667821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).