prop-2-enyl 5-(methylamino)-2-(2-methylpiperidin-1-yl)benzoate

C17H24N2O2 — CID 91677253

IUPACprop-2-enyl 5-(methylamino)-2-(2-methylpiperidin-1-yl)benzoate
SMILESC=CCOC(=O)c1cc(NC)ccc1N1CCCCC1C
InChIInChI=1S/C17H24N2O2/c1-4-11-21-17(20)15-12-14(18-3)8-9-16(15)19-10-6-5-7-13(19)2/h4,8-9,12-13,18H,1,5-7,10-11H2,2-3H3
InChIKeyCGKCDKBNTWFEFI-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.45
Rot. Bonds5

About prop-2-enyl 5-(methylamino)-2-(2-methylpiperidin-1-yl)benzoate

prop-2-enyl 5-(methylamino)-2-(2-methylpiperidin-1-yl)benzoate (PubChem CID 91677253) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is prop-2-enyl 5-(methylamino)-2-(2-methylpiperidin-1-yl)benzoate.

Molecular Properties

Compound Nameprop-2-enyl 5-(methylamino)-2-(2-methylpiperidin-1-yl)benzoate
PubChem CID91677253
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nameprop-2-enyl 5-(methylamino)-2-(2-methylpiperidin-1-yl)benzoate
SMILESC=CCOC(=O)c1cc(NC)ccc1N1CCCCC1C
InChIInChI=1S/C17H24N2O2/c1-4-11-21-17(20)15-12-14(18-3)8-9-16(15)19-10-6-5-7-13(19)2/h4,8-9,12-13,18H,1,5-7,10-11H2,2-3H3
InChIKeyCGKCDKBNTWFEFI-UHFFFAOYSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze prop-2-enyl 5-(methylamino)-2-(2-methylpiperidin-1-yl)benzoate 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

prop-2-ynyl 5-(methylamino)-2-[(2R)-2-methylpiperidin-1-yl]benzoate
CID 100803716
3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 91677014
methyl 2-[(2S)-2-methylpiperidin-1-yl]-5-(1,2,4-triazol-4-yl)benzoate
CID 100803697
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide
CID 91676351
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide
CID 100803336
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide
CID 100803350
N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide
CID 100803316
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide
CID 100803273
5-(methylamino)-2-pyrrolidin-1-ylbenzoic acid
CID 153184017
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
CID 100803366
1-[4-bromo-2-(2-methylazepan-1-yl)phenyl]ethanone
CID 82967461
1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one
CID 112677458

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 5-(methylamino)-2-(2-methylpiperidin-1-yl)benzoate?
The IUPAC name of prop-2-enyl 5-(methylamino)-2-(2-methylpiperidin-1-yl)benzoate (CID 91677253) is prop-2-enyl 5-(methylamino)-2-(2-methylpiperidin-1-yl)benzoate.
What is the SMILES notation for prop-2-enyl 5-(methylamino)-2-(2-methylpiperidin-1-yl)benzoate?
The canonical SMILES for prop-2-enyl 5-(methylamino)-2-(2-methylpiperidin-1-yl)benzoate is C=CCOC(=O)c1cc(NC)ccc1N1CCCCC1C.
What is the InChIKey of prop-2-enyl 5-(methylamino)-2-(2-methylpiperidin-1-yl)benzoate?
The InChIKey is CGKCDKBNTWFEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-11-21-17(20)15-12-14(18-3)8-9-16(15)19-10-6-5-7-13(19)2/h4,8-9,12-13,18H,1,5-7,10-11H2,2-3H3.
What are the key properties of prop-2-enyl 5-(methylamino)-2-(2-methylpiperidin-1-yl)benzoate?
prop-2-enyl 5-(methylamino)-2-(2-methylpiperidin-1-yl)benzoate has a molecular weight of 288.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 5-(methylamino)-2-(2-methylpiperidin-1-yl)benzoate is sourced from PubChem (CID 91677253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).