methyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate

C15H19NO2 — CID 169479575

IUPACmethyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccccc1N1CCCCC1
InChIInChI=1S/C15H19NO2/c1-18-15(17)10-9-13-7-3-4-8-14(13)16-11-5-2-6-12-16/h3-4,7-10H,2,5-6,11-12H2,1H3
InChIKeyVOBBFHAUPCYTDE-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.86
Rot. Bonds3

About methyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate

methyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate (PubChem CID 169479575) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate
PubChem CID169479575
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namemethyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccccc1N1CCCCC1
InChIInChI=1S/C15H19NO2/c1-18-15(17)10-9-13-7-3-4-8-14(13)16-11-5-2-6-12-16/h3-4,7-10H,2,5-6,11-12H2,1H3
InChIKeyVOBBFHAUPCYTDE-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 3-(2-piperidin-1-ylphenyl)prop-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

(E)-3-[2-(azocan-1-yl)phenyl]prop-2-enoic acid
CID 29019087
methyl 3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]phenyl]prop-2-enoate
CID 76569225
methyl (E)-3-(2-formylphenyl)prop-2-enoate
CID 11321421
methyl (E)-3-[2-(propan-2-ylamino)phenyl]prop-2-enoate
CID 122514319
ethane;methyl (E)-3-[2-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]phenyl]prop-2-enoate
CID 145156916
methyl (E)-3-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enoate
CID 46318141
methyl (E)-3-(2-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enoate
CID 46318065
methyl (E)-3-[2-[(1-methylpiperidin-4-yl)amino]phenyl]prop-2-enoate
CID 67492674
methyl (E)-3-(2-aminophenyl)prop-2-enoate
CID 11240788
methyl (E)-3-[3-(3-bromo-4-piperidin-1-ylphenyl)phenyl]prop-2-enoate
CID 68742116
methyl (E)-3-[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)phenyl]prop-2-enoate
CID 132584109
dimethyl (Z)-2-(2-pyrrolidin-1-ylphenyl)but-2-enedioate
CID 12955040

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate?
The IUPAC name of methyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate (CID 169479575) is methyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate?
The canonical SMILES for methyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate is COC(=O)C=Cc1ccccc1N1CCCCC1.
What is the InChIKey of methyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate?
The InChIKey is VOBBFHAUPCYTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-18-15(17)10-9-13-7-3-4-8-14(13)16-11-5-2-6-12-16/h3-4,7-10H,2,5-6,11-12H2,1H3.
What are the key properties of methyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate?
methyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate has a molecular weight of 245.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate is sourced from PubChem (CID 169479575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).