N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride

C15H21ClN2O2 — CID 119303125

IUPACN-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride
SMILESC=CCOc1cccc(NC(=O)C2CCCNC2)c1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-2-9-19-14-7-3-6-13(10-14)17-15(18)12-5-4-8-16-11-12;/h2-3,6-7,10,12,16H,1,4-5,8-9,11H2,(H,17,18);1H
InChIKeyTVFIQLJKLOPSJP-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.61
Rot. Bonds5

About N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride

N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119303125) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119303125
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride
SMILESC=CCOc1cccc(NC(=O)C2CCCNC2)c1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-2-9-19-14-7-3-6-13(10-14)17-15(18)12-5-4-8-16-11-12;/h2-3,6-7,10,12,16H,1,4-5,8-9,11H2,(H,17,18);1H
InChIKeyTVFIQLJKLOPSJP-UHFFFAOYSA-N
XLogP2.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride 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

N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119303115
N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119291452
N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306015
N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885790
N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119323699
N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride
CID 119263523
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768
9-amino-N-(3-prop-2-enoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987346
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119875040
N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 63005560
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide
CID 119885879

Frequently Asked Questions

What is the IUPAC name of N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride (CID 119303125) is N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride is C=CCOc1cccc(NC(=O)C2CCCNC2)c1.Cl.
What is the InChIKey of N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is TVFIQLJKLOPSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c1-2-9-19-14-7-3-6-13(10-14)17-15(18)12-5-4-8-16-11-12;/h2-3,6-7,10,12,16H,1,4-5,8-9,11H2,(H,17,18);1H.
What are the key properties of N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride?
N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119303125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).