methyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate

C15H24N2O3 — CID 97040487

IUPACmethyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CNC(=O)[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C15H24N2O3/c1-20-15(19)17-9-7-12(8-10-17)11-16-14(18)13-5-3-2-4-6-13/h2-3,12-13H,4-11H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyOFAVUKJTGZFBAD-CYBMUJFWSA-N
MW280.37 g/mol
LogP1.94
Rot. Bonds3

About methyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate

methyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 97040487) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate
PubChem CID97040487
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CNC(=O)[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C15H24N2O3/c1-20-15(19)17-9-7-12(8-10-17)11-16-14(18)13-5-3-2-4-6-13/h2-3,12-13H,4-11H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyOFAVUKJTGZFBAD-CYBMUJFWSA-N
XLogP1.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate 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

Cambridge id 6578224
CID 2903407
Cambridge id 6577895
CID 3152668
1-(Cyclohex-3-ene-1-carbonyl)-4-(pyrrolidin-3-YL)piperidine
CID 110197849
Methyl 4-(pent-4-enamidomethyl)piperidine-1-carboxylate
CID 49688686
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 125520738
N-{[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl}cyclohex-3-ene-1-carboxamide
CID 137966114
N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 42920140
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 42943349
3-[1-(3-cyclohexen-1-ylcarbonyl)-4-piperidinyl]-N-(2-methoxyethyl)propanamide
CID 45235465
N-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide
CID 56748456
Methyl 4-((cyclohex-3-enecarboxamido)methyl)piperidine-1-carboxylate
CID 71786829
N-(4-morpholinobut-2-yn-1-yl)cyclohex-3-enecarboxamide
CID 71792715

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate (CID 97040487) is methyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate is COC(=O)N1CCC(CNC(=O)[C@@H]2CC=CCC2)CC1.
What is the InChIKey of methyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is OFAVUKJTGZFBAD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-20-15(19)17-9-7-12(8-10-17)11-16-14(18)13-5-3-2-4-6-13/h2-3,12-13H,4-11H2,1H3,(H,16,18)/t13-/m1/s1.
What are the key properties of methyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate?
methyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 97040487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).