methyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate

C16H20ClNO2 — CID 5476455

IUPACmethyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate
SMILESCOC(=O)/C(=C\c1ccc(Cl)cc1)CN1CCCCC1
InChIInChI=1S/C16H20ClNO2/c1-20-16(19)14(12-18-9-3-2-4-10-18)11-13-5-7-15(17)8-6-13/h5-8,11H,2-4,9-10,12H2,1H3/b14-11-
InChIKeyKDNZTTATNGKRIP-KAMYIIQDSA-N
MW293.79 g/mol
LogP3.38
Rot. Bonds4

About methyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate

methyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate (PubChem CID 5476455) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is methyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate
PubChem CID5476455
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Namemethyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate
SMILESCOC(=O)/C(=C\c1ccc(Cl)cc1)CN1CCCCC1
InChIInChI=1S/C16H20ClNO2/c1-20-16(19)14(12-18-9-3-2-4-10-18)11-13-5-7-15(17)8-6-13/h5-8,11H,2-4,9-10,12H2,1H3/b14-11-
InChIKeyKDNZTTATNGKRIP-KAMYIIQDSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)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

methyl (E)-4-acetyloxy-4-(4-chlorophenyl)-2-(pyrrolidin-1-ylmethyl)but-2-enoate
CID 177403784
methyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate
CID 134980752
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188
methyl (Z)-2-[(4-bromophenyl)sulfonylmethyl]-3-(4-chlorophenyl)prop-2-enoate
CID 71567048
diethyl 2-[(4-chlorophenyl)methylidene]butanedioate
CID 85409409
1-(4-chlorophenyl)sulfonylpiperidine;ethane;methyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 142272873
(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide
CID 110440064
methyl (2E)-2-[(4-bromophenyl)methylidene]-4-oxopentanoate
CID 16664755
(E)-3-(4-chlorophenyl)-2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 110298696
ethyl 2-[(4-chlorophenyl)methylidene]butanoate
CID 67451347
(E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide
CID 110306654
ethyl (E)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enoate
CID 69301248

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate (CID 5476455) is methyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate is COC(=O)/C(=C\c1ccc(Cl)cc1)CN1CCCCC1.
What is the InChIKey of methyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate?
The InChIKey is KDNZTTATNGKRIP-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-20-16(19)14(12-18-9-3-2-4-10-18)11-13-5-7-15(17)8-6-13/h5-8,11H,2-4,9-10,12H2,1H3/b14-11-.
What are the key properties of methyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate?
methyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate has a molecular weight of 293.79 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate is sourced from PubChem (CID 5476455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).